USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 TYR OH : rot 180:sc= 0.114 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0.102 K(o=0.33,f=-0.4) USER MOD Set 1.3: A 112 SER OG : rot -140:sc= 0.115 USER MOD Set 2.1: A 96 ASN : amide:sc= 1.12 K(o=2.2,f=-3.8!) USER MOD Set 2.2: A 115 SER OG : rot 180:sc= 1.04 USER MOD Set 3.1: A 52 HIS : no HD1:sc= 1.67 K(o=2.7,f=-3.6!) USER MOD Set 3.2: A 58 THR OG1 : rot 125:sc= 1.03 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= 0.27 USER MOD Set 4.2: A 51 GLN : amide:sc= 0.358 X(o=0.63,f=0.51) USER MOD Single : A 3 THR OG1 : rot 180:sc= -2.11! USER MOD Single : A 5 LYS NZ :NH3+ 140:sc= 1.24 (180deg=-0.491) USER MOD Single : A 6 TYR OH : rot 174:sc= 0.669 USER MOD Single : A 10 SER OG : rot 180:sc=-0.00524 USER MOD Single : A 13 ASN : amide:sc= 0.621 K(o=0.62,f=-3.4!) USER MOD Single : A 14 TYR OH : rot -142:sc= 1.12 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0.517 (180deg=0.449) USER MOD Single : A 30 MET CE :methyl -135:sc= -0.473 (180deg=-1.76!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 34 CYS SG : rot 178:sc= 1.03 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.75!) USER MOD Single : A 43 ASN : amide:sc= 0.319 K(o=0.32,f=-0.86) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0177 F(o=-0.68,f=-0.018) USER MOD Single : A 48 THR OG1 : rot 160:sc= -0.322 USER MOD Single : A 50 THR OG1 : rot 83:sc= 0.772 USER MOD Single : A 59 THR OG1 : rot 170:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 61 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.087) USER MOD Single : A 62 SER OG : rot 33:sc= 0.135 USER MOD Single : A 64 THR OG1 : rot 7:sc= 1.06 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -153:sc= -1.57 (180deg=-2.83!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 74 MET CE :methyl 134:sc= -0.394 (180deg=-3.81!) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.741) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 1.23 (180deg=-0.501) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.19) USER MOD Single : A 85 MET CE :methyl -178:sc= -0.458 (180deg=-0.474) USER MOD Single : A 89 LYS NZ :NH3+ -144:sc= 1.2 (180deg=-0.111!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 100 THR OG1 : rot -80:sc= -1.24 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 125:sc= 1.01 USER MOD Single : A 119 TYR OH : rot -23:sc= 1.29 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -142:sc= 1.29 (180deg=1.01) USER MOD Single : A 125 LYS NZ :NH3+ 173:sc= -0.0397 (180deg=-0.0961) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.446 -7.082 -3.246 1.00 0.35 N ATOM 12 CA PHE A 2 -11.289 -6.498 -2.570 1.00 0.27 C ATOM 13 C PHE A 2 -11.018 -7.157 -1.220 1.00 0.23 C ATOM 14 O PHE A 2 -9.893 -7.129 -0.732 1.00 0.25 O ATOM 15 CB PHE A 2 -11.485 -4.994 -2.378 1.00 0.33 C ATOM 16 CG PHE A 2 -11.234 -4.191 -3.624 1.00 0.31 C ATOM 17 CD1 PHE A 2 -12.202 -4.087 -4.610 1.00 1.22 C ATOM 18 CD2 PHE A 2 -10.024 -3.542 -3.810 1.00 1.24 C ATOM 19 CE1 PHE A 2 -11.970 -3.352 -5.755 1.00 1.23 C ATOM 20 CE2 PHE A 2 -9.784 -2.802 -4.956 1.00 1.24 C ATOM 21 CZ PHE A 2 -10.761 -2.708 -5.929 1.00 0.36 C ATOM 0 HA PHE A 2 -10.424 -6.676 -3.208 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.503 -4.809 -2.036 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.816 -4.646 -1.591 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -13.150 -4.588 -4.481 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -9.258 -3.614 -3.052 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -12.734 -3.281 -6.515 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -8.837 -2.300 -5.089 1.00 1.24 H new ATOM 0 HZ PHE A 2 -10.579 -2.132 -6.824 1.00 0.36 H new ATOM 31 N THR A 3 -12.047 -7.743 -0.623 1.00 0.20 N ATOM 32 CA THR A 3 -11.915 -8.391 0.673 1.00 0.19 C ATOM 33 C THR A 3 -11.050 -9.641 0.603 1.00 0.19 C ATOM 34 O THR A 3 -11.171 -10.442 -0.325 1.00 0.26 O ATOM 35 CB THR A 3 -13.292 -8.779 1.215 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.255 -7.802 0.808 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.251 -8.873 2.729 1.00 0.26 C ATOM 0 H THR A 3 -12.986 -7.782 -1.019 1.00 0.20 H new ATOM 0 HA THR A 3 -11.433 -7.673 1.337 1.00 0.19 H new ATOM 0 HB THR A 3 -13.575 -9.753 0.815 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.138 -8.050 1.153 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.237 -9.150 3.103 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.524 -9.629 3.027 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.963 -7.908 3.146 1.00 0.26 H new ATOM 45 N GLY A 4 -10.203 -9.817 1.606 1.00 0.19 N ATOM 46 CA GLY A 4 -9.332 -10.965 1.641 1.00 0.21 C ATOM 47 C GLY A 4 -7.916 -10.595 2.014 1.00 0.19 C ATOM 48 O GLY A 4 -7.577 -9.410 2.081 1.00 0.21 O ATOM 0 H GLY A 4 -10.106 -9.181 2.397 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.717 -11.690 2.358 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.334 -11.450 0.665 1.00 0.21 H new ATOM 52 N LYS A 5 -7.092 -11.598 2.289 1.00 0.20 N ATOM 53 CA LYS A 5 -5.700 -11.349 2.627 1.00 0.20 C ATOM 54 C LYS A 5 -4.854 -11.483 1.371 1.00 0.18 C ATOM 55 O LYS A 5 -5.133 -12.319 0.509 1.00 0.19 O ATOM 56 CB LYS A 5 -5.209 -12.301 3.736 1.00 0.23 C ATOM 57 CG LYS A 5 -4.323 -13.443 3.250 1.00 0.28 C ATOM 58 CD LYS A 5 -4.168 -14.533 4.298 1.00 0.31 C ATOM 59 CE LYS A 5 -3.379 -14.045 5.500 1.00 0.56 C ATOM 60 NZ LYS A 5 -4.195 -14.074 6.742 1.00 1.54 N ATOM 0 H LYS A 5 -7.361 -12.582 2.285 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.605 -10.336 3.019 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.657 -11.721 4.476 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.076 -12.723 4.244 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.749 -13.871 2.343 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.340 -13.052 2.986 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.153 -14.870 4.621 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.665 -15.394 3.857 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.494 -14.668 5.631 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.030 -13.029 5.318 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -3.609 -14.404 7.535 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -4.548 -13.118 6.948 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -5.000 -14.720 6.614 1.00 1.54 H new ATOM 74 N TYR A 6 -3.848 -10.643 1.250 1.00 0.19 N ATOM 75 CA TYR A 6 -2.981 -10.660 0.088 1.00 0.19 C ATOM 76 C TYR A 6 -1.524 -10.793 0.496 1.00 0.19 C ATOM 77 O TYR A 6 -1.090 -10.189 1.474 1.00 0.23 O ATOM 78 CB TYR A 6 -3.170 -9.382 -0.730 1.00 0.22 C ATOM 79 CG TYR A 6 -4.576 -9.178 -1.224 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.041 -9.859 -2.338 1.00 1.25 C ATOM 81 CD2 TYR A 6 -5.436 -8.298 -0.582 1.00 1.14 C ATOM 82 CE1 TYR A 6 -6.327 -9.672 -2.799 1.00 1.29 C ATOM 83 CE2 TYR A 6 -6.722 -8.106 -1.037 1.00 1.13 C ATOM 84 CZ TYR A 6 -7.162 -8.795 -2.145 1.00 0.35 C ATOM 85 OH TYR A 6 -8.438 -8.604 -2.604 1.00 0.44 O ATOM 0 H TYR A 6 -3.609 -9.936 1.945 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.251 -11.523 -0.520 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.882 -8.526 -0.120 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.495 -9.406 -1.585 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.386 -10.547 -2.853 1.00 1.25 H new ATOM 0 HD2 TYR A 6 -5.092 -7.756 0.287 1.00 1.14 H new ATOM 0 HE1 TYR A 6 -6.677 -10.210 -3.668 1.00 1.29 H new ATOM 0 HE2 TYR A 6 -7.381 -7.419 -0.528 1.00 1.13 H new ATOM 0 HH TYR A 6 -8.929 -8.034 -1.977 1.00 0.44 H new ATOM 95 N GLU A 7 -0.777 -11.593 -0.248 1.00 0.19 N ATOM 96 CA GLU A 7 0.635 -11.791 0.031 1.00 0.21 C ATOM 97 C GLU A 7 1.473 -11.428 -1.180 1.00 0.19 C ATOM 98 O GLU A 7 1.034 -11.595 -2.324 1.00 0.22 O ATOM 99 CB GLU A 7 0.924 -13.237 0.441 1.00 0.26 C ATOM 100 CG GLU A 7 0.561 -13.554 1.881 1.00 0.33 C ATOM 101 CD GLU A 7 1.355 -14.717 2.443 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.744 -15.613 1.663 1.00 1.20 O ATOM 103 OE2 GLU A 7 1.593 -14.740 3.667 1.00 1.41 O ATOM 0 H GLU A 7 -1.126 -12.116 -1.051 1.00 0.19 H new ATOM 0 HA GLU A 7 0.900 -11.137 0.862 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.373 -13.908 -0.218 1.00 0.26 H new ATOM 0 HB3 GLU A 7 1.984 -13.442 0.291 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.732 -12.671 2.497 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.503 -13.783 1.941 1.00 0.33 H new ATOM 110 N PHE A 8 2.672 -10.931 -0.911 1.00 0.23 N ATOM 111 CA PHE A 8 3.615 -10.535 -1.947 1.00 0.25 C ATOM 112 C PHE A 8 3.768 -11.622 -3.006 1.00 0.24 C ATOM 113 O PHE A 8 4.061 -12.781 -2.699 1.00 0.33 O ATOM 114 CB PHE A 8 4.974 -10.214 -1.313 1.00 0.33 C ATOM 115 CG PHE A 8 6.117 -10.151 -2.291 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.120 -9.228 -3.326 1.00 1.32 C ATOM 117 CD2 PHE A 8 7.190 -11.019 -2.173 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.170 -9.175 -4.223 1.00 1.57 C ATOM 119 CE2 PHE A 8 8.244 -10.971 -3.064 1.00 1.86 C ATOM 120 CZ PHE A 8 8.232 -10.047 -4.091 1.00 1.49 C ATOM 0 H PHE A 8 3.020 -10.790 0.038 1.00 0.23 H new ATOM 0 HA PHE A 8 3.226 -9.645 -2.442 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.903 -9.258 -0.794 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.197 -10.970 -0.560 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.292 -8.543 -3.432 1.00 1.32 H new ATOM 0 HD2 PHE A 8 7.203 -11.744 -1.373 1.00 1.55 H new ATOM 0 HE1 PHE A 8 7.160 -8.453 -5.026 1.00 1.57 H new ATOM 0 HE2 PHE A 8 9.075 -11.653 -2.958 1.00 1.86 H new ATOM 0 HZ PHE A 8 9.054 -10.007 -4.791 1.00 1.49 H new ATOM 130 N GLU A 9 3.534 -11.241 -4.249 1.00 0.25 N ATOM 131 CA GLU A 9 3.658 -12.155 -5.369 1.00 0.26 C ATOM 132 C GLU A 9 4.622 -11.588 -6.394 1.00 0.28 C ATOM 133 O GLU A 9 5.553 -12.256 -6.831 1.00 0.34 O ATOM 134 CB GLU A 9 2.305 -12.390 -6.027 1.00 0.27 C ATOM 135 CG GLU A 9 2.373 -13.363 -7.190 1.00 0.35 C ATOM 136 CD GLU A 9 2.125 -14.792 -6.758 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.667 -15.206 -5.710 1.00 1.19 O ATOM 138 OE2 GLU A 9 1.394 -15.509 -7.466 1.00 1.46 O ATOM 0 H GLU A 9 3.254 -10.295 -4.509 1.00 0.25 H new ATOM 0 HA GLU A 9 4.037 -13.105 -4.993 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.606 -12.771 -5.282 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.908 -11.438 -6.379 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.636 -13.080 -7.941 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.353 -13.293 -7.662 1.00 0.35 H new ATOM 145 N SER A 10 4.382 -10.350 -6.783 1.00 0.26 N ATOM 146 CA SER A 10 5.219 -9.681 -7.757 1.00 0.29 C ATOM 147 C SER A 10 5.314 -8.193 -7.423 1.00 0.27 C ATOM 148 O SER A 10 4.410 -7.644 -6.799 1.00 0.32 O ATOM 149 CB SER A 10 4.640 -9.882 -9.162 1.00 0.34 C ATOM 150 OG SER A 10 4.449 -11.262 -9.452 1.00 1.01 O ATOM 0 H SER A 10 3.607 -9.785 -6.435 1.00 0.26 H new ATOM 0 HA SER A 10 6.221 -10.108 -7.729 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.689 -9.356 -9.244 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.311 -9.443 -9.900 1.00 0.34 H new ATOM 0 HG SER A 10 4.077 -11.358 -10.354 1.00 1.01 H new ATOM 156 N ASP A 11 6.404 -7.555 -7.821 1.00 0.28 N ATOM 157 CA ASP A 11 6.606 -6.133 -7.553 1.00 0.28 C ATOM 158 C ASP A 11 7.384 -5.506 -8.702 1.00 0.28 C ATOM 159 O ASP A 11 8.084 -6.211 -9.440 1.00 0.34 O ATOM 160 CB ASP A 11 7.361 -5.958 -6.237 1.00 0.32 C ATOM 161 CG ASP A 11 7.495 -4.516 -5.797 1.00 0.97 C ATOM 162 OD1 ASP A 11 8.475 -3.858 -6.208 1.00 1.71 O ATOM 163 OD2 ASP A 11 6.639 -4.054 -5.018 1.00 1.72 O ATOM 0 H ASP A 11 7.167 -7.998 -8.333 1.00 0.28 H new ATOM 0 HA ASP A 11 5.640 -5.635 -7.468 1.00 0.28 H new ATOM 0 HB2 ASP A 11 6.848 -6.520 -5.457 1.00 0.32 H new ATOM 0 HB3 ASP A 11 8.356 -6.391 -6.339 1.00 0.32 H new ATOM 168 N GLU A 12 7.260 -4.197 -8.873 1.00 0.26 N ATOM 169 CA GLU A 12 7.944 -3.509 -9.956 1.00 0.27 C ATOM 170 C GLU A 12 8.198 -2.040 -9.638 1.00 0.25 C ATOM 171 O GLU A 12 7.354 -1.364 -9.047 1.00 0.26 O ATOM 172 CB GLU A 12 7.117 -3.627 -11.241 1.00 0.32 C ATOM 173 CG GLU A 12 7.593 -2.727 -12.370 1.00 0.38 C ATOM 174 CD GLU A 12 7.411 -3.350 -13.734 1.00 0.57 C ATOM 175 OE1 GLU A 12 6.277 -3.342 -14.254 1.00 1.00 O ATOM 176 OE2 GLU A 12 8.397 -3.865 -14.290 1.00 1.44 O ATOM 0 H GLU A 12 6.694 -3.593 -8.277 1.00 0.26 H new ATOM 0 HA GLU A 12 8.915 -3.985 -10.089 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.140 -4.662 -11.582 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.078 -3.389 -11.015 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.048 -1.784 -12.331 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.647 -2.492 -12.221 1.00 0.38 H new ATOM 183 N ASN A 13 9.377 -1.564 -10.061 1.00 0.25 N ATOM 184 CA ASN A 13 9.797 -0.171 -9.885 1.00 0.25 C ATOM 185 C ASN A 13 9.987 0.192 -8.416 1.00 0.23 C ATOM 186 O ASN A 13 9.720 1.323 -8.006 1.00 0.30 O ATOM 187 CB ASN A 13 8.788 0.771 -10.542 1.00 0.29 C ATOM 188 CG ASN A 13 9.450 1.887 -11.328 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.628 1.805 -11.672 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.686 2.918 -11.648 1.00 0.84 N ATOM 0 H ASN A 13 10.070 -2.141 -10.538 1.00 0.25 H new ATOM 0 HA ASN A 13 10.766 -0.058 -10.372 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.143 0.198 -11.207 1.00 0.29 H new ATOM 0 HB3 ASN A 13 8.148 1.204 -9.773 1.00 0.29 H new ATOM 0 HD21 ASN A 13 9.069 3.685 -12.201 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.713 2.946 -11.342 1.00 0.84 H new ATOM 197 N TYR A 14 10.481 -0.764 -7.641 1.00 0.23 N ATOM 198 CA TYR A 14 10.714 -0.559 -6.219 1.00 0.25 C ATOM 199 C TYR A 14 11.873 0.404 -5.982 1.00 0.23 C ATOM 200 O TYR A 14 11.708 1.434 -5.324 1.00 0.22 O ATOM 201 CB TYR A 14 11.014 -1.894 -5.524 1.00 0.32 C ATOM 202 CG TYR A 14 11.004 -1.805 -4.012 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.121 -1.365 -3.309 1.00 1.28 C ATOM 204 CD2 TYR A 14 9.866 -2.145 -3.287 1.00 1.30 C ATOM 205 CE1 TYR A 14 12.102 -1.263 -1.932 1.00 1.39 C ATOM 206 CE2 TYR A 14 9.844 -2.050 -1.912 1.00 1.36 C ATOM 207 CZ TYR A 14 10.962 -1.606 -1.240 1.00 0.78 C ATOM 208 OH TYR A 14 10.933 -1.494 0.125 1.00 0.98 O ATOM 0 H TYR A 14 10.729 -1.695 -7.977 1.00 0.23 H new ATOM 0 HA TYR A 14 9.807 -0.126 -5.798 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.278 -2.633 -5.841 1.00 0.32 H new ATOM 0 HB3 TYR A 14 11.989 -2.254 -5.852 1.00 0.32 H new ATOM 0 HD1 TYR A 14 13.018 -1.099 -3.849 1.00 1.28 H new ATOM 0 HD2 TYR A 14 8.986 -2.489 -3.810 1.00 1.30 H new ATOM 0 HE1 TYR A 14 12.976 -0.916 -1.401 1.00 1.39 H new ATOM 0 HE2 TYR A 14 8.954 -2.322 -1.364 1.00 1.36 H new ATOM 0 HH TYR A 14 10.429 -2.244 0.504 1.00 0.98 H new ATOM 218 N ASP A 15 13.039 0.070 -6.536 1.00 0.25 N ATOM 219 CA ASP A 15 14.245 0.879 -6.351 1.00 0.26 C ATOM 220 C ASP A 15 14.071 2.291 -6.879 1.00 0.25 C ATOM 221 O ASP A 15 14.511 3.250 -6.255 1.00 0.26 O ATOM 222 CB ASP A 15 15.445 0.246 -7.034 1.00 0.33 C ATOM 223 CG ASP A 15 15.986 -0.954 -6.277 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.358 -2.033 -6.317 1.00 1.18 O ATOM 225 OD2 ASP A 15 17.049 -0.822 -5.636 1.00 1.30 O ATOM 0 H ASP A 15 13.174 -0.757 -7.118 1.00 0.25 H new ATOM 0 HA ASP A 15 14.418 0.924 -5.276 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.164 -0.062 -8.041 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.234 0.991 -7.137 1.00 0.33 H new ATOM 230 N ASP A 16 13.431 2.416 -8.026 1.00 0.25 N ATOM 231 CA ASP A 16 13.207 3.722 -8.631 1.00 0.26 C ATOM 232 C ASP A 16 12.325 4.576 -7.737 1.00 0.25 C ATOM 233 O ASP A 16 12.545 5.774 -7.584 1.00 0.29 O ATOM 234 CB ASP A 16 12.557 3.553 -9.995 1.00 0.29 C ATOM 235 CG ASP A 16 13.371 4.180 -11.107 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.456 3.649 -11.426 1.00 1.20 O ATOM 237 OD2 ASP A 16 12.930 5.199 -11.676 1.00 1.46 O ATOM 0 H ASP A 16 13.056 1.632 -8.560 1.00 0.25 H new ATOM 0 HA ASP A 16 14.168 4.223 -8.751 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.424 2.491 -10.201 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.564 4.002 -9.979 1.00 0.29 H new ATOM 242 N PHE A 17 11.339 3.932 -7.131 1.00 0.21 N ATOM 243 CA PHE A 17 10.407 4.601 -6.240 1.00 0.21 C ATOM 244 C PHE A 17 11.096 5.023 -4.952 1.00 0.20 C ATOM 245 O PHE A 17 11.033 6.186 -4.553 1.00 0.23 O ATOM 246 CB PHE A 17 9.237 3.667 -5.922 1.00 0.21 C ATOM 247 CG PHE A 17 8.107 4.324 -5.181 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.200 5.128 -5.848 1.00 1.22 C ATOM 249 CD2 PHE A 17 7.947 4.129 -3.816 1.00 1.17 C ATOM 250 CE1 PHE A 17 6.155 5.724 -5.173 1.00 1.24 C ATOM 251 CE2 PHE A 17 6.905 4.726 -3.135 1.00 1.19 C ATOM 252 CZ PHE A 17 6.007 5.522 -3.815 1.00 0.38 C ATOM 0 H PHE A 17 11.164 2.933 -7.243 1.00 0.21 H new ATOM 0 HA PHE A 17 10.034 5.496 -6.738 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.853 3.254 -6.855 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.606 2.829 -5.330 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.311 5.291 -6.910 1.00 1.22 H new ATOM 0 HD2 PHE A 17 8.646 3.503 -3.281 1.00 1.17 H new ATOM 0 HE1 PHE A 17 5.453 6.348 -5.706 1.00 1.24 H new ATOM 0 HE2 PHE A 17 6.793 4.570 -2.072 1.00 1.19 H new ATOM 0 HZ PHE A 17 5.189 5.987 -3.286 1.00 0.38 H new ATOM 262 N VAL A 18 11.765 4.076 -4.315 1.00 0.19 N ATOM 263 CA VAL A 18 12.456 4.347 -3.069 1.00 0.21 C ATOM 264 C VAL A 18 13.589 5.349 -3.262 1.00 0.23 C ATOM 265 O VAL A 18 13.804 6.218 -2.410 1.00 0.26 O ATOM 266 CB VAL A 18 12.990 3.057 -2.422 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.836 2.142 -2.061 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.963 2.336 -3.340 1.00 0.23 C ATOM 0 H VAL A 18 11.843 3.113 -4.642 1.00 0.19 H new ATOM 0 HA VAL A 18 11.722 4.787 -2.393 1.00 0.21 H new ATOM 0 HB VAL A 18 13.529 3.333 -1.516 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.223 1.231 -1.604 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.176 2.649 -1.357 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.278 1.887 -2.962 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.320 1.430 -2.851 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.459 2.072 -4.270 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.809 2.988 -3.558 1.00 0.23 H new ATOM 278 N LYS A 19 14.317 5.237 -4.372 1.00 0.24 N ATOM 279 CA LYS A 19 15.404 6.165 -4.655 1.00 0.29 C ATOM 280 C LYS A 19 14.858 7.567 -4.919 1.00 0.30 C ATOM 281 O LYS A 19 15.543 8.564 -4.696 1.00 0.34 O ATOM 282 CB LYS A 19 16.223 5.694 -5.859 1.00 0.33 C ATOM 283 CG LYS A 19 17.340 4.727 -5.500 1.00 0.41 C ATOM 284 CD LYS A 19 18.539 5.464 -4.926 1.00 0.54 C ATOM 285 CE LYS A 19 19.183 4.695 -3.783 1.00 0.87 C ATOM 286 NZ LYS A 19 19.968 3.528 -4.258 1.00 1.18 N ATOM 0 H LYS A 19 14.174 4.519 -5.082 1.00 0.24 H new ATOM 0 HA LYS A 19 16.054 6.196 -3.780 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.556 5.214 -6.575 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.653 6.563 -6.357 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.976 3.999 -4.775 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.642 4.170 -6.387 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.275 5.628 -5.713 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.226 6.446 -4.572 1.00 0.54 H new ATOM 0 HE2 LYS A 19 19.835 5.363 -3.221 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.408 4.353 -3.097 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.387 3.036 -3.443 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 19.343 2.875 -4.772 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 20.725 3.854 -4.892 1.00 1.18 H new ATOM 300 N LYS A 20 13.615 7.636 -5.376 1.00 0.29 N ATOM 301 CA LYS A 20 12.978 8.909 -5.676 1.00 0.32 C ATOM 302 C LYS A 20 12.440 9.584 -4.416 1.00 0.31 C ATOM 303 O LYS A 20 12.681 10.771 -4.196 1.00 0.36 O ATOM 304 CB LYS A 20 11.846 8.704 -6.685 1.00 0.35 C ATOM 305 CG LYS A 20 11.139 9.995 -7.083 1.00 0.58 C ATOM 306 CD LYS A 20 12.088 10.980 -7.750 1.00 0.73 C ATOM 307 CE LYS A 20 12.602 10.464 -9.081 1.00 0.71 C ATOM 308 NZ LYS A 20 13.239 11.544 -9.884 1.00 0.88 N ATOM 0 H LYS A 20 13.026 6.821 -5.547 1.00 0.29 H new ATOM 0 HA LYS A 20 13.735 9.565 -6.106 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.250 8.231 -7.580 1.00 0.35 H new ATOM 0 HB3 LYS A 20 11.115 8.015 -6.262 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.318 9.765 -7.763 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.700 10.456 -6.198 1.00 0.58 H new ATOM 0 HD2 LYS A 20 11.575 11.930 -7.903 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.931 11.176 -7.087 1.00 0.73 H new ATOM 0 HE2 LYS A 20 13.324 9.666 -8.907 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.777 10.030 -9.646 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 13.577 11.152 -10.786 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 12.543 12.294 -10.072 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 14.042 11.941 -9.356 1.00 0.88 H new ATOM 322 N ILE A 21 11.722 8.833 -3.585 1.00 0.28 N ATOM 323 CA ILE A 21 11.154 9.397 -2.359 1.00 0.30 C ATOM 324 C ILE A 21 12.226 9.632 -1.292 1.00 0.32 C ATOM 325 O ILE A 21 11.944 10.192 -0.231 1.00 0.39 O ATOM 326 CB ILE A 21 10.031 8.515 -1.764 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.555 7.115 -1.435 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.850 8.435 -2.726 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.821 6.453 -0.292 1.00 0.30 C ATOM 0 H ILE A 21 11.520 7.844 -3.733 1.00 0.28 H new ATOM 0 HA ILE A 21 10.722 10.354 -2.651 1.00 0.30 H new ATOM 0 HB ILE A 21 9.690 8.975 -0.836 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.473 6.487 -2.322 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.614 7.181 -1.187 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.069 7.811 -2.292 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.457 9.436 -2.904 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.179 8.001 -3.670 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.243 5.464 -0.112 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.924 7.061 0.607 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.765 6.356 -0.545 1.00 0.30 H new ATOM 341 N GLY A 22 13.450 9.195 -1.574 1.00 0.31 N ATOM 342 CA GLY A 22 14.543 9.394 -0.643 1.00 0.36 C ATOM 343 C GLY A 22 14.493 8.455 0.544 1.00 0.34 C ATOM 344 O GLY A 22 14.871 8.831 1.655 1.00 0.39 O ATOM 0 H GLY A 22 13.703 8.706 -2.433 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.488 9.256 -1.168 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.524 10.423 -0.285 1.00 0.36 H new ATOM 348 N LEU A 23 14.041 7.233 0.310 1.00 0.28 N ATOM 349 CA LEU A 23 13.954 6.239 1.368 1.00 0.27 C ATOM 350 C LEU A 23 15.363 5.826 1.794 1.00 0.28 C ATOM 351 O LEU A 23 16.225 5.605 0.945 1.00 0.28 O ATOM 352 CB LEU A 23 13.165 5.019 0.872 1.00 0.24 C ATOM 353 CG LEU A 23 12.761 3.993 1.937 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.779 4.600 2.920 1.00 0.31 C ATOM 355 CD2 LEU A 23 12.138 2.772 1.290 1.00 0.25 C ATOM 0 H LEU A 23 13.728 6.906 -0.604 1.00 0.28 H new ATOM 0 HA LEU A 23 13.434 6.663 2.227 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.260 5.374 0.378 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.762 4.510 0.115 1.00 0.24 H new ATOM 0 HG LEU A 23 13.662 3.694 2.473 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.505 3.855 3.667 1.00 0.31 H new ATOM 0 HD12 LEU A 23 12.240 5.456 3.413 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.885 4.925 2.388 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.858 2.055 2.061 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.251 3.069 0.731 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.857 2.313 0.612 1.00 0.25 H new ATOM 367 N PRO A 24 15.636 5.769 3.105 1.00 0.30 N ATOM 368 CA PRO A 24 16.952 5.364 3.617 1.00 0.32 C ATOM 369 C PRO A 24 17.270 3.915 3.260 1.00 0.30 C ATOM 370 O PRO A 24 16.386 3.056 3.292 1.00 0.28 O ATOM 371 CB PRO A 24 16.818 5.526 5.135 1.00 0.37 C ATOM 372 CG PRO A 24 15.357 5.518 5.403 1.00 0.36 C ATOM 373 CD PRO A 24 14.704 6.112 4.190 1.00 0.33 C ATOM 0 HA PRO A 24 17.761 5.957 3.191 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.319 4.715 5.663 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.275 6.456 5.473 1.00 0.37 H new ATOM 0 HG2 PRO A 24 15.000 4.504 5.580 1.00 0.36 H new ATOM 0 HG3 PRO A 24 15.122 6.099 6.295 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.714 5.690 4.019 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.579 7.190 4.287 1.00 0.33 H new ATOM 381 N ALA A 25 18.534 3.654 2.938 1.00 0.32 N ATOM 382 CA ALA A 25 18.985 2.315 2.560 1.00 0.34 C ATOM 383 C ALA A 25 18.616 1.289 3.623 1.00 0.35 C ATOM 384 O ALA A 25 18.278 0.147 3.311 1.00 0.36 O ATOM 385 CB ALA A 25 20.488 2.311 2.332 1.00 0.39 C ATOM 0 H ALA A 25 19.271 4.359 2.931 1.00 0.32 H new ATOM 0 HA ALA A 25 18.482 2.040 1.633 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.811 1.308 2.051 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.737 3.009 1.533 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.996 2.612 3.248 1.00 0.39 H new ATOM 391 N ASP A 26 18.683 1.724 4.876 1.00 0.37 N ATOM 392 CA ASP A 26 18.346 0.888 6.020 1.00 0.40 C ATOM 393 C ASP A 26 16.951 0.287 5.876 1.00 0.38 C ATOM 394 O ASP A 26 16.742 -0.896 6.148 1.00 0.42 O ATOM 395 CB ASP A 26 18.425 1.717 7.311 1.00 0.46 C ATOM 396 CG ASP A 26 17.811 1.016 8.510 1.00 1.27 C ATOM 397 OD1 ASP A 26 18.338 -0.033 8.924 1.00 2.03 O ATOM 398 OD2 ASP A 26 16.806 1.527 9.053 1.00 2.03 O ATOM 0 H ASP A 26 18.973 2.669 5.127 1.00 0.37 H new ATOM 0 HA ASP A 26 19.064 0.069 6.065 1.00 0.40 H new ATOM 0 HB2 ASP A 26 19.469 1.944 7.526 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.917 2.669 7.156 1.00 0.46 H new ATOM 403 N LYS A 27 16.001 1.094 5.425 1.00 0.35 N ATOM 404 CA LYS A 27 14.634 0.623 5.266 1.00 0.36 C ATOM 405 C LYS A 27 14.432 0.007 3.895 1.00 0.32 C ATOM 406 O LYS A 27 13.661 -0.937 3.746 1.00 0.33 O ATOM 407 CB LYS A 27 13.632 1.758 5.474 1.00 0.39 C ATOM 408 CG LYS A 27 13.714 2.418 6.845 1.00 0.41 C ATOM 409 CD LYS A 27 13.663 1.390 7.971 1.00 0.48 C ATOM 410 CE LYS A 27 13.710 2.050 9.342 1.00 0.72 C ATOM 411 NZ LYS A 27 14.254 1.135 10.385 1.00 0.94 N ATOM 0 H LYS A 27 16.150 2.069 5.165 1.00 0.35 H new ATOM 0 HA LYS A 27 14.460 -0.139 6.026 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.794 2.516 4.708 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.624 1.369 5.330 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.638 2.992 6.918 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.891 3.123 6.959 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.751 0.800 7.883 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.501 0.700 7.871 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.326 2.948 9.291 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.707 2.367 9.626 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 14.098 1.549 11.326 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 13.771 0.216 10.327 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 15.274 1.000 10.231 1.00 0.94 H new ATOM 425 N ILE A 28 15.131 0.539 2.902 1.00 0.30 N ATOM 426 CA ILE A 28 15.021 0.043 1.536 1.00 0.29 C ATOM 427 C ILE A 28 15.351 -1.445 1.471 1.00 0.34 C ATOM 428 O ILE A 28 14.550 -2.253 1.004 1.00 0.37 O ATOM 429 CB ILE A 28 15.971 0.790 0.573 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.497 2.221 0.320 1.00 0.25 C ATOM 431 CG2 ILE A 28 16.098 0.041 -0.746 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.393 3.003 -0.620 1.00 0.26 C ATOM 0 H ILE A 28 15.782 1.316 3.017 1.00 0.30 H new ATOM 0 HA ILE A 28 13.990 0.215 1.227 1.00 0.29 H new ATOM 0 HB ILE A 28 16.951 0.836 1.049 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.489 2.193 -0.093 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.436 2.748 1.272 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.771 0.584 -1.409 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.497 -0.956 -0.561 1.00 0.35 H new ATOM 0 HG23 ILE A 28 15.117 -0.042 -1.213 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.993 4.008 -0.751 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.397 3.064 -0.199 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.434 2.500 -1.586 1.00 0.26 H new ATOM 444 N GLU A 29 16.531 -1.794 1.964 1.00 0.37 N ATOM 445 CA GLU A 29 16.991 -3.174 1.943 1.00 0.44 C ATOM 446 C GLU A 29 16.175 -4.057 2.876 1.00 0.43 C ATOM 447 O GLU A 29 16.025 -5.257 2.637 1.00 0.47 O ATOM 448 CB GLU A 29 18.463 -3.248 2.332 1.00 0.52 C ATOM 449 CG GLU A 29 19.366 -2.474 1.396 1.00 0.55 C ATOM 450 CD GLU A 29 19.121 -2.831 -0.048 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.361 -3.994 -0.417 1.00 1.41 O ATOM 452 OE2 GLU A 29 18.676 -1.955 -0.817 1.00 1.73 O ATOM 0 H GLU A 29 17.189 -1.137 2.385 1.00 0.37 H new ATOM 0 HA GLU A 29 16.860 -3.543 0.926 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.584 -2.863 3.345 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.776 -4.292 2.348 1.00 0.52 H new ATOM 0 HG2 GLU A 29 19.205 -1.405 1.538 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.407 -2.675 1.648 1.00 0.55 H new ATOM 459 N MET A 30 15.648 -3.459 3.930 1.00 0.41 N ATOM 460 CA MET A 30 14.860 -4.190 4.907 1.00 0.43 C ATOM 461 C MET A 30 13.453 -4.475 4.388 1.00 0.40 C ATOM 462 O MET A 30 12.835 -5.464 4.770 1.00 0.41 O ATOM 463 CB MET A 30 14.796 -3.399 6.217 1.00 0.45 C ATOM 464 CG MET A 30 14.167 -4.155 7.379 1.00 0.46 C ATOM 465 SD MET A 30 15.059 -5.658 7.823 1.00 0.63 S ATOM 466 CE MET A 30 13.896 -6.897 7.260 1.00 0.97 C ATOM 0 H MET A 30 15.752 -2.465 4.132 1.00 0.41 H new ATOM 0 HA MET A 30 15.345 -5.149 5.088 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.807 -3.102 6.497 1.00 0.45 H new ATOM 0 HB3 MET A 30 14.230 -2.483 6.047 1.00 0.45 H new ATOM 0 HG2 MET A 30 14.122 -3.498 8.248 1.00 0.46 H new ATOM 0 HG3 MET A 30 13.140 -4.414 7.121 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.791 -7.670 8.021 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.927 -6.431 7.079 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.261 -7.345 6.336 1.00 0.97 H new ATOM 476 N GLY A 31 12.945 -3.611 3.517 1.00 0.39 N ATOM 477 CA GLY A 31 11.609 -3.811 2.984 1.00 0.39 C ATOM 478 C GLY A 31 11.582 -4.198 1.518 1.00 0.43 C ATOM 479 O GLY A 31 10.567 -4.003 0.852 1.00 0.51 O ATOM 0 H GLY A 31 13.429 -2.782 3.172 1.00 0.39 H new ATOM 0 HA2 GLY A 31 11.110 -4.588 3.564 1.00 0.39 H new ATOM 0 HA3 GLY A 31 11.034 -2.895 3.118 1.00 0.39 H new ATOM 483 N ARG A 32 12.663 -4.767 1.013 1.00 0.43 N ATOM 484 CA ARG A 32 12.713 -5.149 -0.392 1.00 0.50 C ATOM 485 C ARG A 32 12.716 -6.661 -0.530 1.00 0.44 C ATOM 486 O ARG A 32 13.419 -7.355 0.202 1.00 0.49 O ATOM 487 CB ARG A 32 13.943 -4.554 -1.090 1.00 0.60 C ATOM 488 CG ARG A 32 15.260 -5.158 -0.633 1.00 0.78 C ATOM 489 CD ARG A 32 16.329 -5.062 -1.709 1.00 0.71 C ATOM 490 NE ARG A 32 16.791 -3.694 -1.941 1.00 1.31 N ATOM 491 CZ ARG A 32 16.566 -2.991 -3.050 1.00 1.49 C ATOM 492 NH1 ARG A 32 15.752 -3.454 -3.998 1.00 1.65 N ATOM 493 NH2 ARG A 32 17.156 -1.814 -3.200 1.00 2.27 N ATOM 0 H ARG A 32 13.509 -4.974 1.545 1.00 0.43 H new ATOM 0 HA ARG A 32 11.822 -4.749 -0.877 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.843 -4.696 -2.166 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.966 -3.479 -0.911 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.602 -4.645 0.266 1.00 0.78 H new ATOM 0 HG3 ARG A 32 15.107 -6.203 -0.365 1.00 0.78 H new ATOM 0 HD2 ARG A 32 17.179 -5.682 -1.424 1.00 0.71 H new ATOM 0 HD3 ARG A 32 15.935 -5.469 -2.641 1.00 0.71 H new ATOM 0 HE ARG A 32 17.326 -3.244 -1.198 1.00 1.31 H new ATOM 0 HH11 ARG A 32 15.292 -4.357 -3.879 1.00 1.65 H new ATOM 0 HH12 ARG A 32 15.588 -2.906 -4.842 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.774 -1.457 -2.471 1.00 2.27 H new ATOM 0 HH22 ARG A 32 16.992 -1.265 -4.044 1.00 2.27 H new ATOM 507 N ASN A 33 11.905 -7.160 -1.463 1.00 0.53 N ATOM 508 CA ASN A 33 11.792 -8.598 -1.724 1.00 0.67 C ATOM 509 C ASN A 33 11.189 -9.319 -0.522 1.00 0.59 C ATOM 510 O ASN A 33 11.272 -10.541 -0.408 1.00 0.69 O ATOM 511 CB ASN A 33 13.158 -9.215 -2.072 1.00 0.80 C ATOM 512 CG ASN A 33 13.851 -8.511 -3.227 1.00 1.23 C ATOM 513 OD1 ASN A 33 13.204 -7.983 -4.131 1.00 1.72 O ATOM 514 ND2 ASN A 33 15.176 -8.487 -3.196 1.00 1.78 N ATOM 0 H ASN A 33 11.310 -6.583 -2.057 1.00 0.53 H new ATOM 0 HA ASN A 33 11.131 -8.723 -2.582 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.801 -9.179 -1.193 1.00 0.80 H new ATOM 0 HB3 ASN A 33 13.022 -10.267 -2.324 1.00 0.80 H new ATOM 0 HD21 ASN A 33 15.695 -8.019 -3.939 1.00 1.78 H new ATOM 0 HD22 ASN A 33 15.676 -8.936 -2.429 1.00 1.78 H new ATOM 521 N CYS A 34 10.566 -8.554 0.364 1.00 0.47 N ATOM 522 CA CYS A 34 9.960 -9.106 1.559 1.00 0.41 C ATOM 523 C CYS A 34 8.500 -9.460 1.314 1.00 0.41 C ATOM 524 O CYS A 34 7.848 -8.882 0.446 1.00 0.48 O ATOM 525 CB CYS A 34 10.089 -8.106 2.704 1.00 0.38 C ATOM 526 SG CYS A 34 11.780 -7.541 2.985 1.00 1.16 S ATOM 0 H CYS A 34 10.469 -7.543 0.273 1.00 0.47 H new ATOM 0 HA CYS A 34 10.482 -10.025 1.828 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.457 -7.243 2.494 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.711 -8.563 3.619 1.00 0.38 H new ATOM 0 HG CYS A 34 11.791 -6.665 3.945 1.00 1.16 H new ATOM 532 N LYS A 35 7.994 -10.412 2.082 1.00 0.39 N ATOM 533 CA LYS A 35 6.615 -10.853 1.943 1.00 0.42 C ATOM 534 C LYS A 35 5.684 -10.105 2.891 1.00 0.38 C ATOM 535 O LYS A 35 5.489 -10.503 4.043 1.00 0.40 O ATOM 536 CB LYS A 35 6.503 -12.365 2.169 1.00 0.47 C ATOM 537 CG LYS A 35 7.330 -12.880 3.339 1.00 0.48 C ATOM 538 CD LYS A 35 8.642 -13.496 2.873 1.00 1.13 C ATOM 539 CE LYS A 35 9.467 -14.011 4.041 1.00 1.64 C ATOM 540 NZ LYS A 35 10.867 -14.314 3.646 1.00 2.49 N ATOM 0 H LYS A 35 8.520 -10.895 2.810 1.00 0.39 H new ATOM 0 HA LYS A 35 6.303 -10.626 0.924 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.457 -12.620 2.337 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.815 -12.882 1.261 1.00 0.47 H new ATOM 0 HG2 LYS A 35 7.537 -12.060 4.027 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.755 -13.623 3.892 1.00 0.48 H new ATOM 0 HD2 LYS A 35 8.435 -14.315 2.184 1.00 1.13 H new ATOM 0 HD3 LYS A 35 9.217 -12.753 2.321 1.00 1.13 H new ATOM 0 HE2 LYS A 35 9.469 -13.268 4.839 1.00 1.64 H new ATOM 0 HE3 LYS A 35 9.002 -14.911 4.444 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 11.393 -14.662 4.473 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 10.868 -15.042 2.903 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 11.321 -13.450 3.285 1.00 2.49 H new ATOM 554 N ILE A 36 5.122 -9.012 2.403 1.00 0.36 N ATOM 555 CA ILE A 36 4.192 -8.214 3.186 1.00 0.34 C ATOM 556 C ILE A 36 2.770 -8.718 2.953 1.00 0.33 C ATOM 557 O ILE A 36 2.389 -9.016 1.817 1.00 0.41 O ATOM 558 CB ILE A 36 4.278 -6.700 2.835 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.562 -6.078 3.394 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.074 -5.939 3.375 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.766 -6.227 2.494 1.00 0.66 C ATOM 0 H ILE A 36 5.294 -8.655 1.463 1.00 0.36 H new ATOM 0 HA ILE A 36 4.463 -8.321 4.236 1.00 0.34 H new ATOM 0 HB ILE A 36 4.287 -6.623 1.748 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.389 -5.018 3.577 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.784 -6.536 4.358 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.163 -4.885 3.114 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.161 -6.345 2.939 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.035 -6.042 4.459 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.632 -5.760 2.964 1.00 0.66 H new ATOM 0 HD12 ILE A 36 6.969 -7.285 2.330 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.567 -5.743 1.538 1.00 0.66 H new ATOM 573 N VAL A 37 2.000 -8.839 4.022 1.00 0.29 N ATOM 574 CA VAL A 37 0.632 -9.319 3.913 1.00 0.29 C ATOM 575 C VAL A 37 -0.359 -8.174 4.065 1.00 0.30 C ATOM 576 O VAL A 37 -0.233 -7.361 4.972 1.00 0.37 O ATOM 577 CB VAL A 37 0.315 -10.394 4.973 1.00 0.29 C ATOM 578 CG1 VAL A 37 -0.950 -11.155 4.608 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.491 -11.343 5.155 1.00 0.32 C ATOM 0 H VAL A 37 2.297 -8.613 4.971 1.00 0.29 H new ATOM 0 HA VAL A 37 0.535 -9.762 2.922 1.00 0.29 H new ATOM 0 HB VAL A 37 0.143 -9.891 5.924 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.154 -11.908 5.369 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.788 -10.461 4.550 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.815 -11.643 3.643 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.242 -12.091 5.908 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.708 -11.839 4.209 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.366 -10.780 5.479 1.00 0.32 H new ATOM 589 N THR A 38 -1.328 -8.109 3.164 1.00 0.25 N ATOM 590 CA THR A 38 -2.353 -7.077 3.208 1.00 0.26 C ATOM 591 C THR A 38 -3.723 -7.702 3.462 1.00 0.24 C ATOM 592 O THR A 38 -4.257 -8.402 2.609 1.00 0.23 O ATOM 593 CB THR A 38 -2.389 -6.264 1.897 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.148 -5.572 1.718 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.535 -5.266 1.901 1.00 0.30 C ATOM 0 H THR A 38 -1.426 -8.764 2.388 1.00 0.25 H new ATOM 0 HA THR A 38 -2.106 -6.399 4.025 1.00 0.26 H new ATOM 0 HB THR A 38 -2.543 -6.959 1.072 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.177 -5.059 0.883 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.535 -4.708 0.965 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.480 -5.798 2.006 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.413 -4.575 2.735 1.00 0.30 H new ATOM 603 N GLU A 39 -4.281 -7.474 4.640 1.00 0.25 N ATOM 604 CA GLU A 39 -5.588 -8.031 4.975 1.00 0.25 C ATOM 605 C GLU A 39 -6.663 -6.963 4.835 1.00 0.24 C ATOM 606 O GLU A 39 -6.639 -5.945 5.532 1.00 0.28 O ATOM 607 CB GLU A 39 -5.570 -8.618 6.384 1.00 0.28 C ATOM 608 CG GLU A 39 -4.516 -9.699 6.560 1.00 0.38 C ATOM 609 CD GLU A 39 -4.625 -10.426 7.881 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.633 -9.756 8.932 1.00 1.24 O ATOM 611 OE2 GLU A 39 -4.692 -11.676 7.874 1.00 1.39 O ATOM 0 H GLU A 39 -3.856 -6.912 5.377 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.820 -8.838 4.280 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.388 -7.819 7.103 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.552 -9.034 6.612 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.605 -10.420 5.747 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.526 -9.249 6.481 1.00 0.38 H new ATOM 618 N VAL A 40 -7.593 -7.204 3.919 1.00 0.20 N ATOM 619 CA VAL A 40 -8.669 -6.264 3.642 1.00 0.20 C ATOM 620 C VAL A 40 -10.019 -6.760 4.142 1.00 0.21 C ATOM 621 O VAL A 40 -10.442 -7.871 3.825 1.00 0.20 O ATOM 622 CB VAL A 40 -8.785 -6.012 2.129 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.928 -5.057 1.816 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.468 -5.495 1.567 1.00 0.22 C ATOM 0 H VAL A 40 -7.622 -8.051 3.351 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.416 -5.345 4.171 1.00 0.20 H new ATOM 0 HB VAL A 40 -9.009 -6.963 1.645 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.985 -4.898 0.739 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.866 -5.484 2.170 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.752 -4.104 2.314 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.572 -5.323 0.496 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.204 -4.560 2.060 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.684 -6.231 1.742 1.00 0.22 H new ATOM 634 N VAL A 41 -10.683 -5.922 4.923 1.00 0.24 N ATOM 635 CA VAL A 41 -12.010 -6.218 5.444 1.00 0.27 C ATOM 636 C VAL A 41 -13.007 -5.237 4.831 1.00 0.29 C ATOM 637 O VAL A 41 -12.800 -4.025 4.879 1.00 0.31 O ATOM 638 CB VAL A 41 -12.063 -6.113 6.981 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.471 -6.370 7.490 1.00 0.70 C ATOM 640 CG2 VAL A 41 -11.080 -7.083 7.615 1.00 0.95 C ATOM 0 H VAL A 41 -10.317 -5.016 5.214 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.262 -7.244 5.177 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.779 -5.100 7.264 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.485 -6.291 8.577 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.152 -5.633 7.064 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.788 -7.370 7.195 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.131 -6.995 8.700 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.333 -8.102 7.321 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -10.070 -6.849 7.279 1.00 0.95 H new ATOM 650 N GLN A 42 -14.069 -5.759 4.232 1.00 0.31 N ATOM 651 CA GLN A 42 -15.070 -4.922 3.589 1.00 0.36 C ATOM 652 C GLN A 42 -16.178 -4.506 4.549 1.00 0.30 C ATOM 653 O GLN A 42 -17.081 -5.289 4.850 1.00 0.42 O ATOM 654 CB GLN A 42 -15.666 -5.666 2.401 1.00 0.53 C ATOM 655 CG GLN A 42 -16.503 -4.798 1.478 1.00 1.14 C ATOM 656 CD GLN A 42 -16.824 -5.498 0.173 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.035 -5.458 -0.770 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.976 -6.141 0.107 1.00 1.59 N ATOM 0 H GLN A 42 -14.259 -6.760 4.179 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.575 -4.011 3.253 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.857 -6.114 1.825 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.284 -6.484 2.772 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.431 -4.525 1.980 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -15.969 -3.871 1.270 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.602 -6.150 0.912 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.239 -6.629 -0.749 1.00 1.59 H new ATOM 667 N ASN A 43 -16.111 -3.267 5.006 1.00 0.30 N ATOM 668 CA ASN A 43 -17.108 -2.716 5.913 1.00 0.37 C ATOM 669 C ASN A 43 -17.939 -1.679 5.176 1.00 0.34 C ATOM 670 O ASN A 43 -17.796 -0.480 5.411 1.00 0.37 O ATOM 671 CB ASN A 43 -16.443 -2.061 7.126 1.00 0.53 C ATOM 672 CG ASN A 43 -15.507 -2.987 7.862 1.00 0.97 C ATOM 673 OD1 ASN A 43 -15.824 -4.154 8.097 1.00 1.44 O ATOM 674 ND2 ASN A 43 -14.340 -2.475 8.221 1.00 1.73 N ATOM 0 H ASN A 43 -15.366 -2.615 4.760 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.744 -3.529 6.263 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.890 -1.181 6.798 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -17.215 -1.714 7.813 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -13.659 -3.053 8.714 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -14.122 -1.502 8.005 1.00 1.73 H new ATOM 681 N GLY A 44 -18.801 -2.137 4.279 1.00 0.35 N ATOM 682 CA GLY A 44 -19.617 -1.222 3.502 1.00 0.37 C ATOM 683 C GLY A 44 -18.765 -0.400 2.553 1.00 0.34 C ATOM 684 O GLY A 44 -18.350 -0.887 1.502 1.00 0.40 O ATOM 0 H GLY A 44 -18.951 -3.125 4.075 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.359 -1.784 2.935 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.163 -0.558 4.172 1.00 0.37 H new ATOM 688 N ASN A 45 -18.491 0.841 2.924 1.00 0.31 N ATOM 689 CA ASN A 45 -17.654 1.712 2.107 1.00 0.29 C ATOM 690 C ASN A 45 -16.319 1.919 2.803 1.00 0.28 C ATOM 691 O ASN A 45 -15.475 2.688 2.350 1.00 0.29 O ATOM 692 CB ASN A 45 -18.340 3.056 1.840 1.00 0.32 C ATOM 693 CG ASN A 45 -19.045 3.078 0.494 1.00 0.38 C ATOM 694 OD1 ASN A 45 -19.600 1.945 0.096 1.00 0.41 O flip ATOM 695 ND2 ASN A 45 -19.100 4.107 -0.172 1.00 0.43 N flip ATOM 0 H ASN A 45 -18.834 1.269 3.784 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.490 1.236 1.140 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.062 3.258 2.631 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.599 3.854 1.874 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -18.659 4.960 0.171 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.587 4.109 -1.068 1.00 0.43 H new ATOM 702 N ASP A 46 -16.142 1.212 3.907 1.00 0.30 N ATOM 703 CA ASP A 46 -14.923 1.285 4.698 1.00 0.29 C ATOM 704 C ASP A 46 -14.079 0.033 4.488 1.00 0.28 C ATOM 705 O ASP A 46 -14.471 -1.070 4.865 1.00 0.36 O ATOM 706 CB ASP A 46 -15.274 1.454 6.181 1.00 0.33 C ATOM 707 CG ASP A 46 -14.058 1.500 7.089 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.621 0.430 7.563 1.00 1.36 O ATOM 709 OD2 ASP A 46 -13.565 2.614 7.363 1.00 1.29 O ATOM 0 H ASP A 46 -16.840 0.570 4.281 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.341 2.148 4.374 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.848 2.372 6.308 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.918 0.630 6.490 1.00 0.33 H new ATOM 714 N PHE A 47 -12.944 0.202 3.836 1.00 0.23 N ATOM 715 CA PHE A 47 -12.038 -0.903 3.591 1.00 0.23 C ATOM 716 C PHE A 47 -10.811 -0.774 4.477 1.00 0.23 C ATOM 717 O PHE A 47 -10.230 0.307 4.596 1.00 0.24 O ATOM 718 CB PHE A 47 -11.627 -0.945 2.123 1.00 0.25 C ATOM 719 CG PHE A 47 -12.745 -1.347 1.201 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.706 -0.427 0.802 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.837 -2.649 0.738 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.733 -0.800 -0.039 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.863 -3.026 -0.104 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.812 -2.103 -0.494 1.00 0.34 C ATOM 0 H PHE A 47 -12.627 1.098 3.465 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.552 -1.834 3.830 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.259 0.038 1.828 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.799 -1.644 2.005 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.648 0.592 1.155 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.098 -3.377 1.039 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.474 -0.075 -0.342 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -13.924 -4.044 -0.458 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.615 -2.398 -1.153 1.00 0.34 H new ATOM 734 N THR A 48 -10.430 -1.862 5.114 1.00 0.26 N ATOM 735 CA THR A 48 -9.271 -1.848 5.982 1.00 0.27 C ATOM 736 C THR A 48 -8.035 -2.337 5.245 1.00 0.28 C ATOM 737 O THR A 48 -8.083 -3.331 4.518 1.00 0.38 O ATOM 738 CB THR A 48 -9.491 -2.719 7.236 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.819 -4.059 6.853 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.609 -2.156 8.095 1.00 0.56 C ATOM 0 H THR A 48 -10.903 -2.763 5.048 1.00 0.26 H new ATOM 0 HA THR A 48 -9.121 -0.815 6.295 1.00 0.27 H new ATOM 0 HB THR A 48 -8.567 -2.719 7.814 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.645 -4.666 7.603 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.746 -2.787 8.973 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.351 -1.145 8.411 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.534 -2.131 7.518 1.00 0.56 H new ATOM 748 N TRP A 49 -6.938 -1.623 5.413 1.00 0.23 N ATOM 749 CA TRP A 49 -5.686 -1.994 4.787 1.00 0.23 C ATOM 750 C TRP A 49 -4.688 -2.365 5.868 1.00 0.23 C ATOM 751 O TRP A 49 -4.136 -1.497 6.551 1.00 0.24 O ATOM 752 CB TRP A 49 -5.147 -0.854 3.923 1.00 0.25 C ATOM 753 CG TRP A 49 -4.849 -1.262 2.511 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.622 -1.331 1.922 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.796 -1.657 1.507 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.744 -1.736 0.616 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.069 -1.945 0.338 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.188 -1.791 1.487 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.685 -2.364 -0.840 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.800 -2.206 0.317 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.048 -2.488 -0.831 1.00 0.42 C ATOM 0 H TRP A 49 -6.890 -0.778 5.982 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.851 -2.850 4.132 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.874 -0.042 3.912 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.238 -0.462 4.379 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.688 -1.100 2.412 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.973 -1.861 -0.041 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.774 -1.575 2.368 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.108 -2.583 -1.727 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.874 -2.314 0.289 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.555 -2.810 -1.729 1.00 0.42 H new ATOM 772 N THR A 50 -4.481 -3.651 6.048 1.00 0.22 N ATOM 773 CA THR A 50 -3.565 -4.133 7.059 1.00 0.24 C ATOM 774 C THR A 50 -2.277 -4.618 6.418 1.00 0.25 C ATOM 775 O THR A 50 -2.305 -5.522 5.596 1.00 0.35 O ATOM 776 CB THR A 50 -4.200 -5.277 7.857 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.600 -5.015 8.040 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.522 -5.444 9.208 1.00 0.28 C ATOM 0 H THR A 50 -4.937 -4.385 5.505 1.00 0.22 H new ATOM 0 HA THR A 50 -3.341 -3.308 7.735 1.00 0.24 H new ATOM 0 HB THR A 50 -4.070 -6.203 7.297 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.094 -5.304 7.244 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.993 -6.262 9.753 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.465 -5.667 9.060 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.621 -4.522 9.781 1.00 0.28 H new ATOM 786 N GLN A 51 -1.160 -4.013 6.787 1.00 0.22 N ATOM 787 CA GLN A 51 0.133 -4.394 6.241 1.00 0.23 C ATOM 788 C GLN A 51 0.947 -5.134 7.288 1.00 0.22 C ATOM 789 O GLN A 51 1.319 -4.562 8.309 1.00 0.24 O ATOM 790 CB GLN A 51 0.913 -3.159 5.778 1.00 0.27 C ATOM 791 CG GLN A 51 0.755 -2.832 4.301 1.00 0.56 C ATOM 792 CD GLN A 51 -0.629 -2.319 3.952 1.00 0.71 C ATOM 793 OE1 GLN A 51 -0.928 -1.141 4.142 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.471 -3.188 3.418 1.00 0.82 N ATOM 0 H GLN A 51 -1.123 -3.252 7.466 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.042 -5.046 5.385 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.589 -2.299 6.364 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.971 -3.311 5.993 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.496 -2.084 4.019 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.964 -3.725 3.712 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.183 -4.156 3.277 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -2.408 -2.890 3.147 1.00 0.82 H new ATOM 803 N HIS A 52 1.253 -6.385 7.017 1.00 0.22 N ATOM 804 CA HIS A 52 2.035 -7.186 7.938 1.00 0.23 C ATOM 805 C HIS A 52 3.438 -7.356 7.404 1.00 0.23 C ATOM 806 O HIS A 52 3.628 -7.630 6.219 1.00 0.26 O ATOM 807 CB HIS A 52 1.394 -8.559 8.161 1.00 0.24 C ATOM 808 CG HIS A 52 0.002 -8.506 8.710 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.233 -8.310 10.048 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.183 -8.636 8.067 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.545 -8.320 10.189 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.166 -8.519 9.017 1.00 0.35 N ATOM 0 H HIS A 52 0.972 -6.871 6.165 1.00 0.22 H new ATOM 0 HA HIS A 52 2.068 -6.667 8.896 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.378 -9.098 7.214 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.020 -9.133 8.844 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.327 -8.800 7.009 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -2.055 -8.185 11.131 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.173 -8.573 8.862 1.00 0.35 H new ATOM 820 N PHE A 53 4.415 -7.197 8.271 1.00 0.25 N ATOM 821 CA PHE A 53 5.797 -7.326 7.876 1.00 0.27 C ATOM 822 C PHE A 53 6.404 -8.592 8.458 1.00 0.31 C ATOM 823 O PHE A 53 6.260 -8.855 9.655 1.00 0.34 O ATOM 824 CB PHE A 53 6.595 -6.112 8.341 1.00 0.24 C ATOM 825 CG PHE A 53 7.838 -5.889 7.549 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.773 -5.669 6.186 1.00 1.13 C ATOM 827 CD2 PHE A 53 9.071 -5.903 8.166 1.00 1.20 C ATOM 828 CE1 PHE A 53 8.924 -5.465 5.451 1.00 1.13 C ATOM 829 CE2 PHE A 53 10.224 -5.702 7.443 1.00 1.23 C ATOM 830 CZ PHE A 53 10.153 -5.482 6.083 1.00 0.34 C ATOM 0 H PHE A 53 4.275 -6.977 9.257 1.00 0.25 H new ATOM 0 HA PHE A 53 5.837 -7.385 6.788 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.966 -5.224 8.275 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.859 -6.239 9.391 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.813 -5.657 5.691 1.00 1.13 H new ATOM 0 HD2 PHE A 53 9.132 -6.074 9.231 1.00 1.20 H new ATOM 0 HE1 PHE A 53 8.864 -5.293 4.386 1.00 1.13 H new ATOM 0 HE2 PHE A 53 11.183 -5.716 7.939 1.00 1.23 H new ATOM 0 HZ PHE A 53 11.056 -5.323 5.513 1.00 0.34 H new ATOM 840 N PRO A 54 7.094 -9.390 7.627 1.00 0.35 N ATOM 841 CA PRO A 54 7.727 -10.630 8.079 1.00 0.41 C ATOM 842 C PRO A 54 8.811 -10.353 9.111 1.00 0.39 C ATOM 843 O PRO A 54 9.839 -9.748 8.803 1.00 0.37 O ATOM 844 CB PRO A 54 8.338 -11.211 6.798 1.00 0.46 C ATOM 845 CG PRO A 54 8.463 -10.060 5.864 1.00 0.45 C ATOM 846 CD PRO A 54 7.322 -9.142 6.191 1.00 0.39 C ATOM 0 HA PRO A 54 7.022 -11.306 8.563 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.310 -11.664 6.996 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.703 -11.991 6.378 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.420 -9.555 5.992 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.414 -10.391 4.827 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.575 -8.100 5.997 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.437 -9.371 5.597 1.00 0.39 H new ATOM 854 N GLY A 55 8.582 -10.812 10.332 1.00 0.43 N ATOM 855 CA GLY A 55 9.539 -10.595 11.400 1.00 0.46 C ATOM 856 C GLY A 55 9.673 -9.131 11.791 1.00 0.41 C ATOM 857 O GLY A 55 10.707 -8.724 12.312 1.00 0.43 O ATOM 0 H GLY A 55 7.748 -11.333 10.604 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.237 -11.172 12.274 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.513 -10.973 11.090 1.00 0.46 H new ATOM 861 N GLY A 56 8.637 -8.337 11.536 1.00 0.37 N ATOM 862 CA GLY A 56 8.699 -6.929 11.876 1.00 0.34 C ATOM 863 C GLY A 56 7.364 -6.349 12.288 1.00 0.35 C ATOM 864 O GLY A 56 6.378 -7.080 12.453 1.00 0.41 O ATOM 0 H GLY A 56 7.764 -8.641 11.104 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.413 -6.790 12.688 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.079 -6.373 11.019 1.00 0.34 H new ATOM 868 N ARG A 57 7.345 -5.027 12.440 1.00 0.34 N ATOM 869 CA ARG A 57 6.156 -4.289 12.857 1.00 0.38 C ATOM 870 C ARG A 57 5.009 -4.423 11.866 1.00 0.31 C ATOM 871 O ARG A 57 5.218 -4.553 10.662 1.00 0.28 O ATOM 872 CB ARG A 57 6.475 -2.793 13.069 1.00 0.45 C ATOM 873 CG ARG A 57 7.289 -2.135 11.950 1.00 0.43 C ATOM 874 CD ARG A 57 6.449 -1.772 10.735 1.00 0.53 C ATOM 875 NE ARG A 57 7.207 -1.961 9.504 1.00 1.58 N ATOM 876 CZ ARG A 57 6.715 -2.520 8.401 1.00 2.33 C ATOM 877 NH1 ARG A 57 5.443 -2.909 8.348 1.00 2.27 N ATOM 878 NH2 ARG A 57 7.502 -2.692 7.344 1.00 3.34 N ATOM 0 H ARG A 57 8.159 -4.434 12.276 1.00 0.34 H new ATOM 0 HA ARG A 57 5.841 -4.732 13.801 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.537 -2.250 13.181 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.021 -2.683 14.006 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.765 -1.234 12.337 1.00 0.43 H new ATOM 0 HG3 ARG A 57 8.087 -2.811 11.644 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.550 -2.388 10.712 1.00 0.53 H new ATOM 0 HD3 ARG A 57 6.122 -0.735 10.810 1.00 0.53 H new ATOM 0 HE ARG A 57 8.177 -1.645 9.487 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.836 -2.780 9.157 1.00 2.27 H new ATOM 0 HH12 ARG A 57 5.075 -3.336 7.498 1.00 2.27 H new ATOM 0 HH21 ARG A 57 8.477 -2.396 7.381 1.00 3.34 H new ATOM 0 HH22 ARG A 57 7.131 -3.120 6.496 1.00 3.34 H new ATOM 892 N THR A 58 3.799 -4.395 12.388 1.00 0.36 N ATOM 893 CA THR A 58 2.613 -4.470 11.564 1.00 0.31 C ATOM 894 C THR A 58 1.994 -3.080 11.466 1.00 0.28 C ATOM 895 O THR A 58 2.279 -2.204 12.287 1.00 0.33 O ATOM 896 CB THR A 58 1.588 -5.488 12.104 1.00 0.35 C ATOM 897 OG1 THR A 58 0.551 -5.709 11.140 1.00 0.34 O ATOM 898 CG2 THR A 58 0.971 -5.006 13.404 1.00 0.39 C ATOM 0 H THR A 58 3.612 -4.320 13.388 1.00 0.36 H new ATOM 0 HA THR A 58 2.903 -4.821 10.574 1.00 0.31 H new ATOM 0 HB THR A 58 2.116 -6.423 12.293 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.479 -6.668 10.951 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.252 -5.744 13.761 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.754 -4.871 14.150 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.463 -4.057 13.236 1.00 0.39 H new ATOM 906 N THR A 59 1.169 -2.874 10.462 1.00 0.25 N ATOM 907 CA THR A 59 0.541 -1.585 10.244 1.00 0.27 C ATOM 908 C THR A 59 -0.914 -1.769 9.833 1.00 0.24 C ATOM 909 O THR A 59 -1.206 -2.522 8.914 1.00 0.36 O ATOM 910 CB THR A 59 1.312 -0.800 9.160 1.00 0.32 C ATOM 911 OG1 THR A 59 2.299 -1.653 8.550 1.00 0.49 O ATOM 912 CG2 THR A 59 1.989 0.421 9.765 1.00 0.48 C ATOM 0 H THR A 59 0.915 -3.587 9.778 1.00 0.25 H new ATOM 0 HA THR A 59 0.567 -1.017 11.174 1.00 0.27 H new ATOM 0 HB THR A 59 0.604 -0.466 8.402 1.00 0.32 H new ATOM 0 HG1 THR A 59 2.673 -1.208 7.761 1.00 0.49 H new ATOM 0 HG21 THR A 59 2.527 0.962 8.987 1.00 0.48 H new ATOM 0 HG22 THR A 59 1.236 1.074 10.206 1.00 0.48 H new ATOM 0 HG23 THR A 59 2.690 0.103 10.537 1.00 0.48 H new ATOM 920 N THR A 60 -1.825 -1.086 10.507 1.00 0.26 N ATOM 921 CA THR A 60 -3.240 -1.235 10.195 1.00 0.23 C ATOM 922 C THR A 60 -3.963 0.110 10.129 1.00 0.22 C ATOM 923 O THR A 60 -3.882 0.922 11.052 1.00 0.26 O ATOM 924 CB THR A 60 -3.944 -2.133 11.234 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.078 -3.217 11.612 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.251 -2.681 10.670 1.00 0.24 C ATOM 0 H THR A 60 -1.617 -0.433 11.262 1.00 0.26 H new ATOM 0 HA THR A 60 -3.289 -1.702 9.211 1.00 0.23 H new ATOM 0 HB THR A 60 -4.172 -1.533 12.115 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.530 -3.782 12.273 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.733 -3.312 11.417 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.912 -1.853 10.413 1.00 0.24 H new ATOM 0 HG23 THR A 60 -5.043 -3.270 9.777 1.00 0.24 H new ATOM 934 N ASN A 61 -4.664 0.339 9.025 1.00 0.25 N ATOM 935 CA ASN A 61 -5.429 1.564 8.832 1.00 0.26 C ATOM 936 C ASN A 61 -6.755 1.233 8.163 1.00 0.29 C ATOM 937 O ASN A 61 -6.825 0.348 7.312 1.00 0.51 O ATOM 938 CB ASN A 61 -4.645 2.594 7.993 1.00 0.36 C ATOM 939 CG ASN A 61 -4.566 2.229 6.527 1.00 0.87 C ATOM 940 OD1 ASN A 61 -5.378 2.680 5.722 1.00 1.43 O ATOM 941 ND2 ASN A 61 -3.588 1.407 6.171 1.00 1.72 N ATOM 0 H ASN A 61 -4.718 -0.314 8.244 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.615 2.012 9.808 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -5.118 3.571 8.093 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -3.635 2.687 8.393 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -3.488 1.126 5.196 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.936 1.056 6.872 1.00 1.72 H new ATOM 948 N SER A 62 -7.807 1.910 8.582 1.00 0.21 N ATOM 949 CA SER A 62 -9.123 1.692 8.013 1.00 0.25 C ATOM 950 C SER A 62 -9.605 2.976 7.364 1.00 0.23 C ATOM 951 O SER A 62 -9.616 4.029 8.008 1.00 0.29 O ATOM 952 CB SER A 62 -10.100 1.239 9.100 1.00 0.34 C ATOM 953 OG SER A 62 -10.242 2.230 10.107 1.00 1.04 O ATOM 0 H SER A 62 -7.776 2.617 9.316 1.00 0.21 H new ATOM 0 HA SER A 62 -9.068 0.908 7.258 1.00 0.25 H new ATOM 0 HB2 SER A 62 -11.072 1.028 8.654 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.746 0.310 9.547 1.00 0.34 H new ATOM 0 HG SER A 62 -10.157 3.120 9.705 1.00 1.04 H new ATOM 959 N PHE A 63 -9.985 2.904 6.103 1.00 0.18 N ATOM 960 CA PHE A 63 -10.443 4.085 5.404 1.00 0.17 C ATOM 961 C PHE A 63 -11.839 3.902 4.852 1.00 0.18 C ATOM 962 O PHE A 63 -12.227 2.809 4.446 1.00 0.24 O ATOM 963 CB PHE A 63 -9.487 4.466 4.274 1.00 0.17 C ATOM 964 CG PHE A 63 -9.275 3.381 3.254 1.00 0.18 C ATOM 965 CD1 PHE A 63 -10.151 3.229 2.189 1.00 0.88 C ATOM 966 CD2 PHE A 63 -8.203 2.508 3.362 1.00 0.86 C ATOM 967 CE1 PHE A 63 -9.960 2.233 1.257 1.00 0.88 C ATOM 968 CE2 PHE A 63 -8.008 1.511 2.428 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.889 1.373 1.374 1.00 0.23 C ATOM 0 H PHE A 63 -9.985 2.048 5.548 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.465 4.894 6.134 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.873 5.352 3.770 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.523 4.738 4.705 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.992 3.899 2.090 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -7.513 2.610 4.186 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -10.650 2.126 0.433 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.167 0.840 2.521 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.739 0.593 0.642 1.00 0.23 H new ATOM 979 N THR A 64 -12.579 4.989 4.825 1.00 0.17 N ATOM 980 CA THR A 64 -13.928 4.980 4.314 1.00 0.19 C ATOM 981 C THR A 64 -13.989 5.778 3.021 1.00 0.18 C ATOM 982 O THR A 64 -13.530 6.916 2.972 1.00 0.19 O ATOM 983 CB THR A 64 -14.903 5.564 5.356 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.924 4.737 6.527 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.309 5.686 4.788 1.00 0.22 C ATOM 0 H THR A 64 -12.262 5.900 5.156 1.00 0.17 H new ATOM 0 HA THR A 64 -14.225 3.951 4.111 1.00 0.19 H new ATOM 0 HB THR A 64 -14.554 6.562 5.621 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.233 4.046 6.452 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.973 6.101 5.546 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.295 6.344 3.919 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.668 4.701 4.491 1.00 0.22 H new ATOM 993 N ILE A 65 -14.495 5.160 1.961 1.00 0.18 N ATOM 994 CA ILE A 65 -14.620 5.831 0.675 1.00 0.18 C ATOM 995 C ILE A 65 -15.378 7.153 0.822 1.00 0.21 C ATOM 996 O ILE A 65 -16.451 7.198 1.426 1.00 0.24 O ATOM 997 CB ILE A 65 -15.342 4.936 -0.360 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.604 3.601 -0.532 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.456 5.660 -1.693 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.192 3.748 -1.050 1.00 0.19 C ATOM 0 H ILE A 65 -14.825 4.195 1.967 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.610 6.034 0.317 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.346 4.723 0.007 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.577 3.085 0.428 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.169 2.970 -1.218 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.966 5.019 -2.413 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -16.025 6.580 -1.560 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.459 5.900 -2.063 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.735 2.763 -1.145 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -13.211 4.235 -2.025 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.610 4.352 -0.354 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.769 8.222 0.298 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.328 9.578 0.332 1.00 0.23 C ATOM 1014 C ASP A 66 -15.218 10.158 1.737 1.00 0.23 C ATOM 1015 O ASP A 66 -15.906 11.115 2.097 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.787 9.586 -0.150 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.285 10.969 -0.512 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.648 11.635 -1.356 1.00 1.10 O ATOM 1019 OD2 ASP A 66 -18.319 11.400 0.043 1.00 1.04 O ATOM 0 H ASP A 66 -13.863 8.169 -0.167 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.751 10.204 -0.348 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.880 8.934 -1.018 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.424 9.170 0.631 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.348 9.558 2.526 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.116 9.985 3.894 1.00 0.22 C ATOM 1026 C LYS A 67 -12.619 9.967 4.201 1.00 0.21 C ATOM 1027 O LYS A 67 -11.866 9.200 3.601 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.870 9.052 4.843 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.524 9.220 6.316 1.00 0.25 C ATOM 1030 CD LYS A 67 -14.960 10.575 6.856 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.276 10.882 8.177 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.691 12.196 8.735 1.00 1.59 N ATOM 0 H LYS A 67 -13.781 8.760 2.238 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.479 11.004 4.029 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.940 9.215 4.715 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.668 8.021 4.552 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -15.003 8.429 6.893 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.448 9.106 6.451 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.722 11.353 6.130 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.041 10.585 6.992 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.508 10.095 8.895 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.195 10.875 8.034 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.199 12.362 9.636 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -14.447 12.951 8.063 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.718 12.196 8.897 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.180 10.841 5.101 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.782 10.869 5.496 1.00 0.26 C ATOM 1048 C GLU A 68 -10.517 9.720 6.459 1.00 0.23 C ATOM 1049 O GLU A 68 -11.421 9.283 7.177 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.415 12.207 6.150 1.00 0.34 C ATOM 1051 CG GLU A 68 -10.847 12.332 7.606 1.00 1.35 C ATOM 1052 CD GLU A 68 -10.341 13.596 8.262 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -10.944 14.665 8.040 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -9.342 13.527 9.010 1.00 2.51 O ATOM 0 H GLU A 68 -12.769 11.533 5.565 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.162 10.758 4.607 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -9.335 12.343 6.091 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -10.870 13.015 5.577 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -11.935 12.311 7.660 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -10.483 11.469 8.163 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.299 9.221 6.468 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.955 8.115 7.344 1.00 0.18 C ATOM 1063 C ALA A 69 -7.606 8.311 8.003 1.00 0.21 C ATOM 1064 O ALA A 69 -6.730 8.985 7.460 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.954 6.824 6.559 1.00 0.18 C ATOM 0 H ALA A 69 -8.534 9.559 5.884 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.706 8.073 8.133 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.695 5.997 7.220 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.944 6.655 6.136 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.222 6.888 5.754 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.457 7.713 9.174 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.217 7.780 9.924 1.00 0.24 C ATOM 1073 C ASP A 70 -5.273 6.697 9.419 1.00 0.22 C ATOM 1074 O ASP A 70 -5.546 5.505 9.572 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.502 7.589 11.413 1.00 0.31 C ATOM 1076 CG ASP A 70 -5.289 7.858 12.275 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -4.299 7.108 12.167 1.00 1.87 O ATOM 1078 OD2 ASP A 70 -5.334 8.807 13.080 1.00 1.95 O ATOM 0 H ASP A 70 -8.191 7.170 9.629 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.751 8.756 9.785 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -7.311 8.255 11.713 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -6.847 6.570 11.586 1.00 0.31 H new ATOM 1083 N MET A 71 -4.173 7.101 8.805 1.00 0.20 N ATOM 1084 CA MET A 71 -3.232 6.140 8.257 1.00 0.20 C ATOM 1085 C MET A 71 -1.839 6.268 8.869 1.00 0.22 C ATOM 1086 O MET A 71 -1.537 7.223 9.590 1.00 0.26 O ATOM 1087 CB MET A 71 -3.141 6.322 6.749 1.00 0.22 C ATOM 1088 CG MET A 71 -4.488 6.271 6.066 1.00 0.19 C ATOM 1089 SD MET A 71 -4.525 7.221 4.539 1.00 0.20 S ATOM 1090 CE MET A 71 -6.271 7.143 4.187 1.00 0.20 C ATOM 0 H MET A 71 -3.912 8.078 8.675 1.00 0.20 H new ATOM 0 HA MET A 71 -3.605 5.145 8.502 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.666 7.279 6.532 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.499 5.546 6.333 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.743 5.233 5.850 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.250 6.652 6.745 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.430 7.233 3.112 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.670 6.190 4.535 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.782 7.959 4.699 1.00 0.20 H new ATOM 1100 N GLU A 72 -1.007 5.276 8.583 1.00 0.24 N ATOM 1101 CA GLU A 72 0.368 5.237 9.045 1.00 0.25 C ATOM 1102 C GLU A 72 1.191 4.379 8.090 1.00 0.26 C ATOM 1103 O GLU A 72 0.704 3.360 7.598 1.00 0.29 O ATOM 1104 CB GLU A 72 0.463 4.673 10.470 1.00 0.28 C ATOM 1105 CG GLU A 72 1.874 4.245 10.868 1.00 0.30 C ATOM 1106 CD GLU A 72 2.004 3.917 12.339 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.459 2.879 12.776 1.00 1.32 O ATOM 1108 OE2 GLU A 72 2.668 4.682 13.070 1.00 1.47 O ATOM 0 H GLU A 72 -1.273 4.469 8.018 1.00 0.24 H new ATOM 0 HA GLU A 72 0.758 6.255 9.064 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.109 5.426 11.174 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.205 3.816 10.558 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.161 3.373 10.281 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.573 5.043 10.617 1.00 0.30 H new ATOM 1115 N THR A 73 2.413 4.803 7.801 1.00 0.26 N ATOM 1116 CA THR A 73 3.282 4.043 6.915 1.00 0.28 C ATOM 1117 C THR A 73 4.199 3.137 7.721 1.00 0.30 C ATOM 1118 O THR A 73 4.293 3.256 8.944 1.00 0.36 O ATOM 1119 CB THR A 73 4.174 4.948 6.037 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.209 5.539 6.832 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.367 6.043 5.372 1.00 0.32 C ATOM 0 H THR A 73 2.823 5.663 8.164 1.00 0.26 H new ATOM 0 HA THR A 73 2.622 3.464 6.270 1.00 0.28 H new ATOM 0 HB THR A 73 4.615 4.324 5.260 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.770 6.110 6.267 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.026 6.661 4.762 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.600 5.597 4.740 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.894 6.661 6.135 1.00 0.32 H new ATOM 1129 N MET A 74 4.893 2.244 7.027 1.00 0.32 N ATOM 1130 CA MET A 74 5.838 1.334 7.650 1.00 0.34 C ATOM 1131 C MET A 74 7.029 2.112 8.206 1.00 0.31 C ATOM 1132 O MET A 74 7.841 1.575 8.959 1.00 0.37 O ATOM 1133 CB MET A 74 6.333 0.331 6.612 1.00 0.42 C ATOM 1134 CG MET A 74 5.223 -0.490 5.989 1.00 0.76 C ATOM 1135 SD MET A 74 5.844 -1.746 4.861 1.00 0.93 S ATOM 1136 CE MET A 74 4.329 -2.637 4.551 1.00 1.05 C ATOM 0 H MET A 74 4.815 2.132 6.016 1.00 0.32 H new ATOM 0 HA MET A 74 5.341 0.810 8.466 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.864 0.867 5.825 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.052 -0.341 7.081 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.644 -0.970 6.778 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.544 0.172 5.452 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.227 -2.821 3.481 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.351 -3.589 5.082 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.482 -2.047 4.900 1.00 1.05 H new ATOM 1146 N GLY A 75 7.136 3.374 7.800 1.00 0.28 N ATOM 1147 CA GLY A 75 8.221 4.217 8.251 1.00 0.31 C ATOM 1148 C GLY A 75 7.878 4.926 9.549 1.00 0.35 C ATOM 1149 O GLY A 75 8.725 5.585 10.151 1.00 0.48 O ATOM 0 H GLY A 75 6.483 3.828 7.161 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.117 3.613 8.392 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.452 4.955 7.483 1.00 0.31 H new ATOM 1153 N GLY A 76 6.625 4.798 9.975 1.00 0.34 N ATOM 1154 CA GLY A 76 6.186 5.423 11.204 1.00 0.39 C ATOM 1155 C GLY A 76 5.701 6.836 10.977 1.00 0.38 C ATOM 1156 O GLY A 76 6.179 7.775 11.616 1.00 0.48 O ATOM 0 H GLY A 76 5.904 4.268 9.485 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.385 4.831 11.646 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.008 5.432 11.920 1.00 0.39 H new ATOM 1160 N ARG A 77 4.764 6.994 10.051 1.00 0.38 N ATOM 1161 CA ARG A 77 4.216 8.306 9.747 1.00 0.38 C ATOM 1162 C ARG A 77 2.730 8.356 10.038 1.00 0.37 C ATOM 1163 O ARG A 77 1.971 7.548 9.515 1.00 0.36 O ATOM 1164 CB ARG A 77 4.433 8.673 8.280 1.00 0.37 C ATOM 1165 CG ARG A 77 5.840 8.483 7.788 1.00 0.39 C ATOM 1166 CD ARG A 77 5.923 8.807 6.314 1.00 0.43 C ATOM 1167 NE ARG A 77 6.194 10.224 6.076 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.094 10.677 5.207 1.00 0.67 C ATOM 1169 NH1 ARG A 77 7.837 9.835 4.501 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.254 11.986 5.049 1.00 0.85 N ATOM 0 H ARG A 77 4.370 6.232 9.500 1.00 0.38 H new ATOM 0 HA ARG A 77 4.740 9.020 10.382 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.763 8.071 7.666 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.149 9.715 8.134 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.519 9.125 8.348 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.158 7.455 7.961 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.708 8.206 5.855 1.00 0.43 H new ATOM 0 HD3 ARG A 77 4.986 8.531 5.829 1.00 0.43 H new ATOM 0 HE ARG A 77 5.659 10.909 6.610 1.00 0.52 H new ATOM 0 HH11 ARG A 77 7.722 8.829 4.621 1.00 0.80 H new ATOM 0 HH12 ARG A 77 8.524 10.194 3.838 1.00 0.80 H new ATOM 0 HH21 ARG A 77 6.688 12.638 5.592 1.00 0.85 H new ATOM 0 HH22 ARG A 77 7.942 12.339 4.384 1.00 0.85 H new ATOM 1184 N LYS A 78 2.322 9.293 10.872 1.00 0.42 N ATOM 1185 CA LYS A 78 0.915 9.457 11.194 1.00 0.43 C ATOM 1186 C LYS A 78 0.321 10.541 10.320 1.00 0.39 C ATOM 1187 O LYS A 78 0.799 11.679 10.320 1.00 0.44 O ATOM 1188 CB LYS A 78 0.732 9.809 12.668 1.00 0.57 C ATOM 1189 CG LYS A 78 1.079 8.672 13.614 1.00 0.75 C ATOM 1190 CD LYS A 78 0.332 7.392 13.255 1.00 1.12 C ATOM 1191 CE LYS A 78 -1.170 7.623 13.171 1.00 1.69 C ATOM 1192 NZ LYS A 78 -1.914 6.369 12.898 1.00 1.76 N ATOM 0 H LYS A 78 2.944 9.953 11.340 1.00 0.42 H new ATOM 0 HA LYS A 78 0.400 8.515 11.006 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.354 10.671 12.907 1.00 0.57 H new ATOM 0 HB3 LYS A 78 -0.303 10.107 12.836 1.00 0.57 H new ATOM 0 HG2 LYS A 78 2.153 8.488 13.583 1.00 0.75 H new ATOM 0 HG3 LYS A 78 0.835 8.961 14.636 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.696 7.014 12.300 1.00 1.12 H new ATOM 0 HD3 LYS A 78 0.541 6.626 14.002 1.00 1.12 H new ATOM 0 HE2 LYS A 78 -1.522 8.056 14.107 1.00 1.69 H new ATOM 0 HE3 LYS A 78 -1.381 8.348 12.385 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 -2.932 6.533 13.033 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 -1.738 6.067 11.918 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 -1.594 5.626 13.551 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.709 10.188 9.571 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.348 11.133 8.671 1.00 0.31 C ATOM 1208 C PHE A 79 -2.794 10.740 8.389 1.00 0.28 C ATOM 1209 O PHE A 79 -3.233 9.644 8.736 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.557 11.203 7.361 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.416 9.872 6.674 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.609 9.014 7.024 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.305 9.479 5.691 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.750 7.792 6.410 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.171 8.253 5.069 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.142 7.405 5.428 1.00 0.26 C ATOM 0 H PHE A 79 -1.121 9.255 9.568 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.357 12.113 9.149 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -1.050 11.902 6.685 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.436 11.604 7.566 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.310 9.308 7.791 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -2.113 10.137 5.406 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.558 7.134 6.695 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.871 7.958 4.302 1.00 1.16 H new ATOM 0 HZ PHE A 79 -0.035 6.445 4.944 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.525 11.650 7.771 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.907 11.416 7.405 1.00 0.33 C ATOM 1228 C LYS A 80 -5.123 11.842 5.967 1.00 0.27 C ATOM 1229 O LYS A 80 -4.628 12.887 5.540 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.851 12.184 8.327 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.881 11.661 9.756 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.492 12.735 10.760 1.00 0.81 C ATOM 1233 CE LYS A 80 -6.485 13.891 10.767 1.00 1.64 C ATOM 1234 NZ LYS A 80 -7.849 13.471 11.200 1.00 2.55 N ATOM 0 H LYS A 80 -3.176 12.572 7.509 1.00 0.29 H new ATOM 0 HA LYS A 80 -5.124 10.353 7.509 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.555 13.233 8.341 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.859 12.142 7.914 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.881 11.293 9.987 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.200 10.815 9.847 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -5.437 12.298 11.757 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.497 13.112 10.522 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -6.121 14.674 11.433 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.542 14.323 9.768 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -8.313 14.257 11.698 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -8.413 13.209 10.366 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -7.774 12.653 11.838 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.842 11.030 5.220 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.102 11.332 3.824 1.00 0.20 C ATOM 1250 C ALA A 81 -7.495 10.894 3.412 1.00 0.19 C ATOM 1251 O ALA A 81 -8.110 10.058 4.075 1.00 0.19 O ATOM 1252 CB ALA A 81 -5.058 10.662 2.951 1.00 0.21 C ATOM 0 H ALA A 81 -6.256 10.159 5.552 1.00 0.24 H new ATOM 0 HA ALA A 81 -6.044 12.412 3.692 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.257 10.892 1.904 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -4.068 11.029 3.221 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -5.098 9.583 3.100 1.00 0.21 H new ATOM 1258 N THR A 82 -7.980 11.463 2.320 1.00 0.19 N ATOM 1259 CA THR A 82 -9.295 11.135 1.802 1.00 0.19 C ATOM 1260 C THR A 82 -9.167 10.106 0.688 1.00 0.20 C ATOM 1261 O THR A 82 -8.344 10.255 -0.221 1.00 0.28 O ATOM 1262 CB THR A 82 -10.017 12.394 1.278 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.684 13.523 2.099 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.525 12.193 1.284 1.00 0.25 C ATOM 0 H THR A 82 -7.476 12.160 1.772 1.00 0.19 H new ATOM 0 HA THR A 82 -9.890 10.719 2.615 1.00 0.19 H new ATOM 0 HB THR A 82 -9.691 12.575 0.254 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.143 14.320 1.761 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.014 13.093 0.911 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.782 11.349 0.644 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.861 11.993 2.301 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.962 9.053 0.764 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.918 7.999 -0.230 1.00 0.15 C ATOM 1274 C VAL A 83 -11.227 7.949 -0.989 1.00 0.16 C ATOM 1275 O VAL A 83 -12.282 8.170 -0.415 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.651 6.629 0.424 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.436 5.568 -0.635 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.459 6.698 1.362 1.00 0.19 C ATOM 0 H VAL A 83 -10.646 8.907 1.506 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.102 8.219 -0.918 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.528 6.357 1.012 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.249 4.607 -0.155 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.325 5.494 -1.261 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.579 5.838 -1.252 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.292 5.719 1.810 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.573 6.997 0.803 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.656 7.428 2.147 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.154 7.672 -2.277 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.343 7.593 -3.108 1.00 0.19 C ATOM 1290 C LYS A 84 -12.286 6.347 -3.986 1.00 0.19 C ATOM 1291 O LYS A 84 -11.292 5.617 -3.983 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.460 8.848 -3.976 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.293 9.017 -4.927 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.282 10.376 -5.599 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.931 10.653 -6.238 1.00 0.49 C ATOM 1296 NZ LYS A 84 -10.046 11.556 -7.407 1.00 1.14 N ATOM 0 H LYS A 84 -10.280 7.497 -2.773 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.221 7.528 -2.465 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.386 8.802 -4.549 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.527 9.725 -3.332 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.360 8.878 -4.380 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.334 8.239 -5.689 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.063 10.417 -6.358 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.508 11.151 -4.866 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.265 11.099 -5.499 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.477 9.712 -6.550 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -9.108 11.692 -7.834 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.688 11.135 -8.109 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -10.423 12.475 -7.100 1.00 1.14 H new ATOM 1310 N MET A 85 -13.348 6.107 -4.730 1.00 0.21 N ATOM 1311 CA MET A 85 -13.419 4.953 -5.611 1.00 0.22 C ATOM 1312 C MET A 85 -13.798 5.405 -7.014 1.00 0.28 C ATOM 1313 O MET A 85 -14.873 5.970 -7.219 1.00 0.41 O ATOM 1314 CB MET A 85 -14.434 3.940 -5.076 1.00 0.23 C ATOM 1315 CG MET A 85 -13.832 2.585 -4.753 1.00 0.21 C ATOM 1316 SD MET A 85 -15.049 1.420 -4.107 1.00 0.26 S ATOM 1317 CE MET A 85 -13.965 0.242 -3.309 1.00 0.25 C ATOM 0 H MET A 85 -14.179 6.698 -4.743 1.00 0.21 H new ATOM 0 HA MET A 85 -12.443 4.468 -5.649 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.899 4.345 -4.177 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.226 3.809 -5.813 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.379 2.169 -5.653 1.00 0.21 H new ATOM 0 HG3 MET A 85 -13.033 2.712 -4.023 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.558 -0.569 -2.886 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.266 -0.163 -4.041 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.410 0.739 -2.514 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.911 5.168 -7.969 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.149 5.580 -9.349 1.00 0.32 C ATOM 1329 C GLU A 86 -13.019 4.393 -10.298 1.00 0.29 C ATOM 1330 O GLU A 86 -11.909 3.940 -10.585 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.159 6.676 -9.765 1.00 0.48 C ATOM 1332 CG GLU A 86 -11.992 7.792 -8.742 1.00 1.22 C ATOM 1333 CD GLU A 86 -12.153 9.176 -9.346 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -13.260 9.498 -9.824 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -11.174 9.958 -9.325 1.00 2.46 O ATOM 0 H GLU A 86 -12.021 4.694 -7.817 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.164 5.973 -9.408 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.186 6.220 -9.949 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.491 7.110 -10.708 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -12.725 7.661 -7.946 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -11.006 7.713 -8.284 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.153 3.887 -10.767 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.152 2.765 -11.693 1.00 0.46 C ATOM 1344 C GLY A 87 -13.821 1.452 -11.012 1.00 0.38 C ATOM 1345 O GLY A 87 -13.141 0.600 -11.588 1.00 0.36 O ATOM 0 H GLY A 87 -15.080 4.235 -10.522 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.130 2.688 -12.167 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -13.428 2.953 -12.486 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.311 1.284 -9.789 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.044 0.065 -9.050 1.00 0.33 C ATOM 1351 C GLY A 88 -12.602 -0.012 -8.596 1.00 0.27 C ATOM 1352 O GLY A 88 -12.046 -1.097 -8.436 1.00 0.32 O ATOM 0 H GLY A 88 -14.887 1.968 -9.298 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.702 0.015 -8.182 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.275 -0.797 -9.675 1.00 0.33 H new ATOM 1356 N LYS A 89 -11.994 1.151 -8.401 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.610 1.230 -7.965 1.00 0.19 C ATOM 1358 C LYS A 89 -10.484 2.190 -6.796 1.00 0.17 C ATOM 1359 O LYS A 89 -10.949 3.329 -6.870 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.697 1.705 -9.100 1.00 0.24 C ATOM 1361 CG LYS A 89 -9.898 0.967 -10.411 1.00 0.28 C ATOM 1362 CD LYS A 89 -8.713 1.169 -11.339 1.00 0.52 C ATOM 1363 CE LYS A 89 -8.953 0.550 -12.710 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.680 0.352 -13.453 1.00 1.76 N ATOM 0 H LYS A 89 -12.443 2.056 -8.539 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.302 0.230 -7.660 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -9.866 2.769 -9.266 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.659 1.592 -8.788 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.034 -0.097 -10.216 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -10.808 1.321 -10.896 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.518 2.235 -11.451 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -7.822 0.727 -10.892 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.459 -0.408 -12.593 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.616 1.193 -13.289 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -7.838 0.527 -14.466 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -6.962 1.014 -13.095 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.348 -0.624 -13.319 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.881 1.728 -5.713 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.684 2.571 -4.547 1.00 0.16 C ATOM 1380 C ILE A 90 -8.477 3.470 -4.762 1.00 0.17 C ATOM 1381 O ILE A 90 -7.343 2.997 -4.804 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.478 1.752 -3.258 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.400 0.526 -3.247 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.734 2.634 -2.051 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.718 0.000 -1.859 1.00 0.20 C ATOM 0 H ILE A 90 -9.521 0.778 -5.618 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.589 3.166 -4.424 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.449 1.395 -3.220 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.333 0.782 -3.749 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.934 -0.270 -3.827 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.588 2.054 -1.139 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -9.041 3.475 -2.061 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.758 3.007 -2.084 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.375 -0.866 -1.940 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.794 -0.290 -1.359 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -11.214 0.779 -1.280 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.731 4.754 -4.925 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.669 5.715 -5.149 1.00 0.17 C ATOM 1399 C VAL A 91 -7.587 6.719 -3.999 1.00 0.16 C ATOM 1400 O VAL A 91 -8.603 7.235 -3.528 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.865 6.453 -6.495 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.260 7.028 -6.605 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.824 7.548 -6.687 1.00 0.25 C ATOM 0 H VAL A 91 -9.668 5.157 -4.906 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.729 5.166 -5.192 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.733 5.717 -7.288 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.368 7.540 -7.561 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -9.992 6.223 -6.540 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.427 7.736 -5.793 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -6.991 8.046 -7.642 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.908 8.275 -5.879 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.827 7.108 -6.677 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.372 6.976 -3.548 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.133 7.912 -2.461 1.00 0.19 C ATOM 1415 C ALA A 92 -5.341 9.116 -2.960 1.00 0.20 C ATOM 1416 O ALA A 92 -4.454 8.973 -3.805 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.398 7.207 -1.332 1.00 0.22 C ATOM 0 H ALA A 92 -5.527 6.545 -3.922 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.089 8.274 -2.082 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.220 7.910 -0.519 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -6.002 6.376 -0.968 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.444 6.828 -1.699 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.659 10.298 -2.442 1.00 0.22 N ATOM 1424 CA ASP A 93 -4.978 11.519 -2.858 1.00 0.26 C ATOM 1425 C ASP A 93 -3.955 11.972 -1.827 1.00 0.22 C ATOM 1426 O ASP A 93 -4.280 12.186 -0.656 1.00 0.23 O ATOM 1427 CB ASP A 93 -5.980 12.647 -3.112 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.286 13.984 -3.310 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -4.585 14.145 -4.331 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.432 14.873 -2.445 1.00 1.19 O ATOM 0 H ASP A 93 -6.382 10.436 -1.736 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.455 11.289 -3.786 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.576 12.412 -3.994 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.670 12.717 -2.271 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.720 12.113 -2.284 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.615 12.549 -1.442 1.00 0.21 C ATOM 1437 C PHE A 94 -0.741 13.528 -2.211 1.00 0.24 C ATOM 1438 O PHE A 94 -0.759 13.534 -3.447 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.769 11.352 -1.022 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.427 10.463 -0.021 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -2.225 9.414 -0.436 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -1.249 10.674 1.334 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -2.835 8.589 0.483 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -1.857 9.850 2.257 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.651 8.804 1.830 1.00 0.25 C ATOM 0 H PHE A 94 -2.455 11.928 -3.251 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.022 13.033 -0.554 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.524 10.765 -1.907 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.172 11.713 -0.608 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -2.372 9.239 -1.492 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -0.629 11.491 1.672 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -3.458 7.773 0.147 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -1.712 10.022 3.313 1.00 1.27 H new ATOM 0 HZ PHE A 94 -3.127 8.156 2.551 1.00 0.25 H new ATOM 1455 N PRO A 95 0.022 14.379 -1.510 1.00 0.26 N ATOM 1456 CA PRO A 95 0.908 15.333 -2.171 1.00 0.29 C ATOM 1457 C PRO A 95 2.035 14.621 -2.908 1.00 0.26 C ATOM 1458 O PRO A 95 2.898 14.000 -2.284 1.00 0.27 O ATOM 1459 CB PRO A 95 1.466 16.170 -1.017 1.00 0.36 C ATOM 1460 CG PRO A 95 1.289 15.335 0.207 1.00 0.32 C ATOM 1461 CD PRO A 95 0.068 14.497 -0.040 1.00 0.28 C ATOM 0 HA PRO A 95 0.391 15.930 -2.922 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.517 16.410 -1.179 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.933 17.117 -0.926 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.164 14.709 0.382 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.162 15.960 1.091 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.148 13.521 0.439 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.831 14.972 0.353 1.00 0.28 H new ATOM 1469 N ASN A 96 2.008 14.704 -4.238 1.00 0.27 N ATOM 1470 CA ASN A 96 3.021 14.071 -5.091 1.00 0.29 C ATOM 1471 C ASN A 96 2.962 12.538 -4.987 1.00 0.28 C ATOM 1472 O ASN A 96 3.848 11.837 -5.468 1.00 0.37 O ATOM 1473 CB ASN A 96 4.423 14.589 -4.727 1.00 0.35 C ATOM 1474 CG ASN A 96 5.499 14.117 -5.685 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.318 14.119 -6.904 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.628 13.700 -5.137 1.00 1.50 N ATOM 0 H ASN A 96 1.288 15.209 -4.755 1.00 0.27 H new ATOM 0 HA ASN A 96 2.807 14.339 -6.126 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.409 15.679 -4.714 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.674 14.262 -3.718 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.388 13.364 -5.728 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.739 13.714 -4.123 1.00 1.50 H new ATOM 1483 N TYR A 97 1.905 12.018 -4.381 1.00 0.23 N ATOM 1484 CA TYR A 97 1.753 10.582 -4.219 1.00 0.21 C ATOM 1485 C TYR A 97 0.333 10.177 -4.594 1.00 0.21 C ATOM 1486 O TYR A 97 -0.637 10.684 -4.038 1.00 0.24 O ATOM 1487 CB TYR A 97 2.063 10.192 -2.769 1.00 0.22 C ATOM 1488 CG TYR A 97 2.263 8.703 -2.526 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.245 7.781 -2.759 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.474 8.225 -2.045 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.433 6.429 -2.524 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.669 6.877 -1.804 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.647 5.984 -2.045 1.00 0.32 C ATOM 1494 OH TYR A 97 2.837 4.637 -1.804 1.00 0.38 O ATOM 0 H TYR A 97 1.140 12.570 -3.994 1.00 0.23 H new ATOM 0 HA TYR A 97 2.450 10.060 -4.875 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.963 10.719 -2.452 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.249 10.541 -2.134 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.291 8.127 -3.130 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.280 8.919 -1.855 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.634 5.728 -2.715 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.619 6.525 -1.428 1.00 1.14 H new ATOM 0 HH TYR A 97 3.747 4.489 -1.470 1.00 0.38 H new ATOM 1504 N HIS A 98 0.227 9.269 -5.547 1.00 0.21 N ATOM 1505 CA HIS A 98 -1.062 8.785 -6.018 1.00 0.22 C ATOM 1506 C HIS A 98 -1.140 7.279 -5.814 1.00 0.21 C ATOM 1507 O HIS A 98 -0.352 6.532 -6.387 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.255 9.145 -7.497 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.652 9.539 -7.842 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.241 10.700 -7.385 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.578 8.929 -8.614 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.467 10.785 -7.863 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.697 9.722 -8.609 1.00 1.09 N ATOM 0 H HIS A 98 1.028 8.846 -6.016 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.860 9.261 -5.448 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.582 9.964 -7.753 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.966 8.291 -8.110 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -3.459 7.992 -9.137 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.164 11.588 -7.676 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.567 9.522 -9.103 1.00 1.09 H new ATOM 1522 N HIS A 99 -2.074 6.839 -4.986 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.226 5.418 -4.692 1.00 0.22 C ATOM 1524 C HIS A 99 -3.532 4.884 -5.263 1.00 0.21 C ATOM 1525 O HIS A 99 -4.593 5.463 -5.038 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.189 5.197 -3.176 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.861 3.791 -2.759 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.688 3.494 -2.111 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.581 2.651 -2.906 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.723 2.194 -1.873 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.850 1.640 -2.334 1.00 0.49 N ATOM 0 H HIS A 99 -2.740 7.443 -4.504 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.402 4.877 -5.158 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.453 5.873 -2.741 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -3.158 5.470 -2.758 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.546 2.557 -3.382 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.061 1.647 -1.369 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -2.115 0.657 -2.272 1.00 0.49 H new ATOM 1539 N THR A 100 -3.445 3.796 -6.015 1.00 0.22 N ATOM 1540 CA THR A 100 -4.623 3.174 -6.604 1.00 0.22 C ATOM 1541 C THR A 100 -4.576 1.659 -6.413 1.00 0.23 C ATOM 1542 O THR A 100 -3.558 1.027 -6.702 1.00 0.31 O ATOM 1543 CB THR A 100 -4.736 3.488 -8.112 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.541 3.073 -8.788 1.00 0.26 O ATOM 1545 CG2 THR A 100 -4.960 4.974 -8.347 1.00 0.24 C ATOM 0 H THR A 100 -2.567 3.324 -6.232 1.00 0.22 H new ATOM 0 HA THR A 100 -5.495 3.585 -6.095 1.00 0.22 H new ATOM 0 HB THR A 100 -5.592 2.942 -8.507 1.00 0.23 H new ATOM 0 HG1 THR A 100 -2.842 3.748 -8.661 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.036 5.166 -9.417 1.00 0.24 H new ATOM 0 HG22 THR A 100 -5.882 5.285 -7.856 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.123 5.538 -7.936 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.667 1.092 -5.919 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.754 -0.344 -5.692 1.00 0.23 C ATOM 1555 C ALA A 101 -6.856 -0.950 -6.552 1.00 0.22 C ATOM 1556 O ALA A 101 -7.950 -0.387 -6.658 1.00 0.23 O ATOM 1557 CB ALA A 101 -6.007 -0.631 -4.219 1.00 0.26 C ATOM 0 H ALA A 101 -6.510 1.608 -5.666 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.806 -0.801 -5.975 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -6.070 -1.708 -4.064 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.189 -0.226 -3.624 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.944 -0.165 -3.913 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.575 -2.092 -7.164 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.549 -2.750 -8.019 1.00 0.23 C ATOM 1565 C GLU A 102 -7.283 -4.250 -8.090 1.00 0.24 C ATOM 1566 O GLU A 102 -6.281 -4.741 -7.568 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.517 -2.151 -9.428 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.179 -2.327 -10.124 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.002 -1.396 -11.304 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.419 -1.760 -12.423 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -5.453 -0.296 -11.124 1.00 1.38 O ATOM 0 H GLU A 102 -5.683 -2.580 -7.084 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.537 -2.591 -7.587 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.297 -2.616 -10.031 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.751 -1.088 -9.369 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.377 -2.153 -9.407 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.085 -3.358 -10.464 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.174 -4.963 -8.767 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.067 -6.403 -8.919 1.00 0.29 C ATOM 1580 C ILE A 103 -7.911 -6.750 -10.389 1.00 0.31 C ATOM 1581 O ILE A 103 -8.801 -6.481 -11.200 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.311 -7.127 -8.359 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.550 -6.745 -6.891 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.162 -8.635 -8.505 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.475 -7.235 -5.941 1.00 0.37 C ATOM 0 H ILE A 103 -8.990 -4.557 -9.225 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.194 -6.734 -8.356 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.179 -6.810 -8.937 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.619 -5.660 -6.816 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.512 -7.148 -6.574 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.048 -9.129 -8.105 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.050 -8.889 -9.559 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.282 -8.969 -7.956 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.718 -6.924 -4.925 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.420 -8.323 -5.984 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.513 -6.811 -6.230 1.00 0.37 H new ATOM 1597 N SER A 104 -6.781 -7.336 -10.727 1.00 0.34 N ATOM 1598 CA SER A 104 -6.500 -7.710 -12.099 1.00 0.38 C ATOM 1599 C SER A 104 -6.062 -9.167 -12.177 1.00 0.48 C ATOM 1600 O SER A 104 -4.969 -9.527 -11.738 1.00 0.88 O ATOM 1601 CB SER A 104 -5.427 -6.786 -12.665 1.00 0.55 C ATOM 1602 OG SER A 104 -5.787 -5.424 -12.502 1.00 1.37 O ATOM 0 H SER A 104 -6.038 -7.565 -10.067 1.00 0.34 H new ATOM 0 HA SER A 104 -7.407 -7.605 -12.695 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.478 -6.977 -12.164 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.278 -7.002 -13.723 1.00 0.55 H new ATOM 0 HG SER A 104 -5.082 -4.853 -12.872 1.00 1.37 H new ATOM 1608 N GLY A 105 -6.942 -10.007 -12.708 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.643 -11.418 -12.843 1.00 0.64 C ATOM 1610 C GLY A 105 -6.791 -12.157 -11.533 1.00 0.63 C ATOM 1611 O GLY A 105 -6.124 -13.169 -11.304 1.00 0.96 O ATOM 0 H GLY A 105 -7.863 -9.733 -13.049 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.308 -11.860 -13.585 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.625 -11.539 -13.214 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.675 -11.656 -10.677 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.894 -12.278 -9.383 1.00 0.50 C ATOM 1617 C GLY A 106 -6.783 -11.965 -8.399 1.00 0.44 C ATOM 1618 O GLY A 106 -6.572 -12.697 -7.431 1.00 0.48 O ATOM 0 H GLY A 106 -8.245 -10.829 -10.856 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.845 -11.937 -8.974 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.971 -13.358 -9.510 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.068 -10.873 -8.655 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.964 -10.455 -7.799 1.00 0.35 C ATOM 1624 C LYS A 107 -5.057 -8.970 -7.503 1.00 0.32 C ATOM 1625 O LYS A 107 -5.570 -8.192 -8.311 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.620 -10.761 -8.461 1.00 0.34 C ATOM 1627 CG LYS A 107 -3.070 -12.138 -8.127 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.499 -12.825 -9.354 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.729 -14.077 -8.983 1.00 0.75 C ATOM 1630 NZ LYS A 107 -1.475 -14.931 -10.172 1.00 1.22 N ATOM 0 H LYS A 107 -6.235 -10.260 -9.453 1.00 0.38 H new ATOM 0 HA LYS A 107 -5.033 -11.012 -6.865 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.731 -10.677 -9.542 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.895 -10.007 -8.155 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.294 -12.046 -7.367 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.862 -12.753 -7.701 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -3.308 -13.083 -10.037 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.842 -12.136 -9.885 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.780 -13.799 -8.523 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -2.290 -14.644 -8.240 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.946 -15.779 -9.884 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.381 -15.215 -10.595 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -0.919 -14.397 -10.870 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.545 -8.596 -6.349 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.555 -7.216 -5.908 1.00 0.28 C ATOM 1646 C LEU A 108 -3.295 -6.515 -6.381 1.00 0.27 C ATOM 1647 O LEU A 108 -2.184 -6.939 -6.073 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.661 -7.181 -4.378 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.763 -5.804 -3.704 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.387 -5.216 -3.456 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.617 -4.845 -4.525 1.00 0.76 C ATOM 0 H LEU A 108 -4.110 -9.241 -5.689 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.412 -6.694 -6.333 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.536 -7.763 -4.088 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.789 -7.692 -3.969 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.252 -5.947 -2.741 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.488 -4.242 -2.978 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.819 -5.881 -2.806 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.864 -5.102 -4.405 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.669 -3.880 -4.020 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.172 -4.715 -5.511 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.622 -5.253 -4.631 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.470 -5.460 -7.149 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.343 -4.699 -7.643 1.00 0.29 C ATOM 1665 C VAL A 109 -2.468 -3.242 -7.210 1.00 0.29 C ATOM 1666 O VAL A 109 -3.472 -2.581 -7.483 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.201 -4.808 -9.183 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.538 -4.589 -9.875 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.154 -3.830 -9.702 1.00 0.32 C ATOM 0 H VAL A 109 -4.382 -5.110 -7.444 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.437 -5.122 -7.210 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.866 -5.819 -9.417 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.407 -4.671 -10.954 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.250 -5.342 -9.537 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.916 -3.596 -9.630 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -1.072 -3.925 -10.785 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.450 -2.812 -9.448 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.190 -4.052 -9.245 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.463 -2.764 -6.496 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.453 -1.394 -6.020 1.00 0.30 C ATOM 1681 C GLU A 110 -0.432 -0.581 -6.792 1.00 0.28 C ATOM 1682 O GLU A 110 0.692 -1.030 -7.020 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.129 -1.343 -4.529 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.208 -1.943 -3.650 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.714 -2.222 -2.249 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.118 -3.298 -2.031 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -1.881 -1.357 -1.366 1.00 1.45 O ATOM 0 H GLU A 110 -0.641 -3.308 -6.233 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.445 -0.971 -6.177 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.193 -1.872 -4.351 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.970 -0.305 -4.236 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.058 -1.262 -3.605 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.566 -2.870 -4.098 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.839 0.603 -7.209 1.00 0.26 N ATOM 1695 CA ILE A 111 0.030 1.493 -7.950 1.00 0.24 C ATOM 1696 C ILE A 111 0.259 2.774 -7.158 1.00 0.25 C ATOM 1697 O ILE A 111 -0.689 3.383 -6.661 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.555 1.838 -9.340 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.717 0.574 -10.193 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.330 2.845 -10.058 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.127 0.016 -10.202 1.00 0.37 C ATOM 0 H ILE A 111 -1.776 0.972 -7.044 1.00 0.26 H new ATOM 0 HA ILE A 111 0.979 0.978 -8.103 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.539 2.282 -9.190 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.419 0.798 -11.217 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.036 -0.192 -9.823 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.098 3.075 -11.034 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.396 3.758 -9.466 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.327 2.425 -10.189 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.161 -0.877 -10.827 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.423 -0.241 -9.185 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.812 0.764 -10.601 1.00 0.37 H new ATOM 1713 N SER A 112 1.517 3.158 -7.024 1.00 0.23 N ATOM 1714 CA SER A 112 1.884 4.360 -6.293 1.00 0.24 C ATOM 1715 C SER A 112 2.749 5.261 -7.156 1.00 0.22 C ATOM 1716 O SER A 112 3.852 4.888 -7.546 1.00 0.25 O ATOM 1717 CB SER A 112 2.627 3.996 -5.007 1.00 0.28 C ATOM 1718 OG SER A 112 1.907 3.037 -4.252 1.00 0.37 O ATOM 0 H SER A 112 2.309 2.649 -7.416 1.00 0.23 H new ATOM 0 HA SER A 112 0.971 4.895 -6.031 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.613 3.603 -5.253 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.782 4.893 -4.407 1.00 0.28 H new ATOM 0 HG SER A 112 1.971 3.256 -3.299 1.00 0.37 H new ATOM 1724 N THR A 113 2.235 6.434 -7.473 1.00 0.22 N ATOM 1725 CA THR A 113 2.971 7.384 -8.284 1.00 0.22 C ATOM 1726 C THR A 113 3.589 8.472 -7.417 1.00 0.23 C ATOM 1727 O THR A 113 2.910 9.060 -6.575 1.00 0.26 O ATOM 1728 CB THR A 113 2.057 8.042 -9.328 1.00 0.25 C ATOM 1729 OG1 THR A 113 0.914 7.205 -9.558 1.00 0.27 O ATOM 1730 CG2 THR A 113 2.804 8.262 -10.634 1.00 0.27 C ATOM 0 H THR A 113 1.311 6.752 -7.181 1.00 0.22 H new ATOM 0 HA THR A 113 3.761 6.831 -8.793 1.00 0.22 H new ATOM 0 HB THR A 113 1.733 9.011 -8.949 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.329 7.625 -10.223 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.138 8.729 -11.360 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.662 8.911 -10.458 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.148 7.303 -11.022 1.00 0.27 H new ATOM 1738 N SER A 114 4.876 8.721 -7.608 1.00 0.25 N ATOM 1739 CA SER A 114 5.577 9.748 -6.860 1.00 0.30 C ATOM 1740 C SER A 114 6.632 10.394 -7.739 1.00 0.29 C ATOM 1741 O SER A 114 7.578 9.734 -8.174 1.00 0.30 O ATOM 1742 CB SER A 114 6.210 9.165 -5.596 1.00 0.38 C ATOM 1743 OG SER A 114 5.214 8.698 -4.704 1.00 1.43 O ATOM 0 H SER A 114 5.458 8.221 -8.280 1.00 0.25 H new ATOM 0 HA SER A 114 4.859 10.509 -6.553 1.00 0.30 H new ATOM 0 HB2 SER A 114 6.878 8.346 -5.863 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.817 9.925 -5.104 1.00 0.38 H new ATOM 0 HG SER A 114 5.387 7.759 -4.484 1.00 1.43 H new ATOM 1749 N SER A 115 6.436 11.675 -8.025 1.00 0.37 N ATOM 1750 CA SER A 115 7.346 12.446 -8.866 1.00 0.47 C ATOM 1751 C SER A 115 7.467 11.838 -10.264 1.00 0.47 C ATOM 1752 O SER A 115 8.475 12.022 -10.946 1.00 0.57 O ATOM 1753 CB SER A 115 8.726 12.553 -8.207 1.00 0.54 C ATOM 1754 OG SER A 115 8.625 13.027 -6.873 1.00 0.63 O ATOM 0 H SER A 115 5.640 12.211 -7.680 1.00 0.37 H new ATOM 0 HA SER A 115 6.930 13.448 -8.974 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.211 11.577 -8.213 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.357 13.226 -8.787 1.00 0.54 H new ATOM 0 HG SER A 115 9.520 13.084 -6.477 1.00 0.63 H new ATOM 1760 N GLY A 116 6.437 11.121 -10.690 1.00 0.42 N ATOM 1761 CA GLY A 116 6.459 10.508 -12.002 1.00 0.46 C ATOM 1762 C GLY A 116 6.832 9.040 -11.955 1.00 0.40 C ATOM 1763 O GLY A 116 6.714 8.336 -12.954 1.00 0.46 O ATOM 0 H GLY A 116 5.587 10.953 -10.151 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.478 10.615 -12.465 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.170 11.039 -12.635 1.00 0.46 H new ATOM 1767 N VAL A 117 7.287 8.575 -10.800 1.00 0.33 N ATOM 1768 CA VAL A 117 7.666 7.181 -10.647 1.00 0.29 C ATOM 1769 C VAL A 117 6.451 6.337 -10.290 1.00 0.28 C ATOM 1770 O VAL A 117 5.830 6.544 -9.247 1.00 0.29 O ATOM 1771 CB VAL A 117 8.748 6.986 -9.562 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.127 5.516 -9.444 1.00 0.52 C ATOM 1773 CG2 VAL A 117 9.970 7.833 -9.873 1.00 0.53 C ATOM 0 H VAL A 117 7.402 9.141 -9.959 1.00 0.33 H new ATOM 0 HA VAL A 117 8.079 6.860 -11.604 1.00 0.29 H new ATOM 0 HB VAL A 117 8.341 7.311 -8.605 1.00 0.30 H new ATOM 0 HG11 VAL A 117 9.890 5.398 -8.675 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.246 4.934 -9.174 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.516 5.163 -10.399 1.00 0.52 H new ATOM 0 HG21 VAL A 117 10.723 7.684 -9.099 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.380 7.539 -10.839 1.00 0.53 H new ATOM 0 HG23 VAL A 117 9.685 8.885 -9.904 1.00 0.53 H new ATOM 1783 N VAL A 118 6.099 5.415 -11.172 1.00 0.27 N ATOM 1784 CA VAL A 118 4.967 4.532 -10.955 1.00 0.27 C ATOM 1785 C VAL A 118 5.424 3.215 -10.342 1.00 0.25 C ATOM 1786 O VAL A 118 6.028 2.381 -11.013 1.00 0.29 O ATOM 1787 CB VAL A 118 4.218 4.239 -12.269 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.085 3.256 -12.033 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.691 5.526 -12.872 1.00 0.86 C ATOM 0 H VAL A 118 6.588 5.259 -12.054 1.00 0.27 H new ATOM 0 HA VAL A 118 4.289 5.042 -10.270 1.00 0.27 H new ATOM 0 HB VAL A 118 4.918 3.788 -12.972 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.569 3.063 -12.974 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.489 2.322 -11.642 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.382 3.677 -11.314 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.164 5.304 -13.800 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.006 6.003 -12.171 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.524 6.198 -13.079 1.00 0.86 H new ATOM 1799 N TYR A 119 5.160 3.059 -9.063 1.00 0.22 N ATOM 1800 CA TYR A 119 5.516 1.849 -8.339 1.00 0.21 C ATOM 1801 C TYR A 119 4.323 0.906 -8.323 1.00 0.22 C ATOM 1802 O TYR A 119 3.208 1.323 -8.014 1.00 0.29 O ATOM 1803 CB TYR A 119 5.949 2.202 -6.914 1.00 0.22 C ATOM 1804 CG TYR A 119 5.947 1.036 -5.960 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.930 0.061 -6.022 1.00 1.21 C ATOM 1806 CD2 TYR A 119 4.955 0.908 -4.997 1.00 1.17 C ATOM 1807 CE1 TYR A 119 6.925 -1.008 -5.154 1.00 1.22 C ATOM 1808 CE2 TYR A 119 4.942 -0.159 -4.124 1.00 1.20 C ATOM 1809 CZ TYR A 119 5.927 -1.114 -4.206 1.00 0.34 C ATOM 1810 OH TYR A 119 5.910 -2.182 -3.342 1.00 0.43 O ATOM 0 H TYR A 119 4.693 3.764 -8.492 1.00 0.22 H new ATOM 0 HA TYR A 119 6.351 1.354 -8.835 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.952 2.629 -6.946 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.286 2.975 -6.526 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.712 0.141 -6.763 1.00 1.21 H new ATOM 0 HD2 TYR A 119 4.180 1.657 -4.931 1.00 1.17 H new ATOM 0 HE1 TYR A 119 7.698 -1.760 -5.215 1.00 1.22 H new ATOM 0 HE2 TYR A 119 4.163 -0.244 -3.381 1.00 1.20 H new ATOM 0 HH TYR A 119 6.402 -2.931 -3.739 1.00 0.43 H new ATOM 1820 N LYS A 120 4.544 -0.351 -8.668 1.00 0.21 N ATOM 1821 CA LYS A 120 3.470 -1.319 -8.709 1.00 0.23 C ATOM 1822 C LYS A 120 3.821 -2.584 -7.956 1.00 0.24 C ATOM 1823 O LYS A 120 4.974 -3.004 -7.931 1.00 0.29 O ATOM 1824 CB LYS A 120 3.185 -1.676 -10.155 1.00 0.28 C ATOM 1825 CG LYS A 120 2.810 -0.478 -10.990 1.00 0.31 C ATOM 1826 CD LYS A 120 2.967 -0.747 -12.471 1.00 0.46 C ATOM 1827 CE LYS A 120 1.834 -1.600 -13.007 1.00 0.87 C ATOM 1828 NZ LYS A 120 1.979 -1.854 -14.460 1.00 1.17 N ATOM 0 H LYS A 120 5.459 -0.722 -8.923 1.00 0.21 H new ATOM 0 HA LYS A 120 2.596 -0.872 -8.234 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.065 -2.153 -10.587 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.376 -2.406 -10.192 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.778 -0.199 -10.780 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.434 0.370 -10.708 1.00 0.31 H new ATOM 0 HD2 LYS A 120 2.998 0.199 -13.012 1.00 0.46 H new ATOM 0 HD3 LYS A 120 3.918 -1.249 -12.651 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.809 -2.550 -12.472 1.00 0.87 H new ATOM 0 HE3 LYS A 120 0.883 -1.102 -12.818 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 1.186 -2.440 -14.791 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 1.978 -0.949 -14.972 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 2.875 -2.351 -14.638 1.00 1.17 H new ATOM 1842 N ARG A 121 2.813 -3.188 -7.359 1.00 0.25 N ATOM 1843 CA ARG A 121 2.985 -4.436 -6.632 1.00 0.28 C ATOM 1844 C ARG A 121 1.750 -5.308 -6.800 1.00 0.28 C ATOM 1845 O ARG A 121 0.621 -4.820 -6.750 1.00 0.34 O ATOM 1846 CB ARG A 121 3.274 -4.189 -5.145 1.00 0.36 C ATOM 1847 CG ARG A 121 2.154 -3.488 -4.390 1.00 0.59 C ATOM 1848 CD ARG A 121 2.453 -3.419 -2.903 1.00 0.84 C ATOM 1849 NE ARG A 121 1.454 -2.640 -2.172 1.00 1.20 N ATOM 1850 CZ ARG A 121 1.713 -1.508 -1.525 1.00 1.59 C ATOM 1851 NH1 ARG A 121 2.943 -1.010 -1.505 1.00 1.88 N ATOM 1852 NH2 ARG A 121 0.736 -0.863 -0.899 1.00 2.48 N ATOM 0 H ARG A 121 1.857 -2.833 -7.362 1.00 0.25 H new ATOM 0 HA ARG A 121 3.848 -4.955 -7.049 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.475 -5.146 -4.664 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.182 -3.592 -5.059 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.021 -2.480 -4.784 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.216 -4.019 -4.551 1.00 0.59 H new ATOM 0 HD2 ARG A 121 2.493 -4.429 -2.495 1.00 0.84 H new ATOM 0 HD3 ARG A 121 3.437 -2.976 -2.753 1.00 0.84 H new ATOM 0 HE ARG A 121 0.495 -2.988 -2.158 1.00 1.20 H new ATOM 0 HH11 ARG A 121 3.698 -1.496 -1.988 1.00 1.88 H new ATOM 0 HH12 ARG A 121 3.133 -0.141 -1.006 1.00 1.88 H new ATOM 0 HH21 ARG A 121 -0.213 -1.236 -0.915 1.00 2.48 H new ATOM 0 HH22 ARG A 121 0.935 0.006 -0.402 1.00 2.48 H new ATOM 1866 N THR A 122 1.977 -6.584 -7.026 1.00 0.27 N ATOM 1867 CA THR A 122 0.904 -7.538 -7.206 1.00 0.27 C ATOM 1868 C THR A 122 0.891 -8.542 -6.061 1.00 0.25 C ATOM 1869 O THR A 122 1.884 -9.234 -5.820 1.00 0.29 O ATOM 1870 CB THR A 122 1.069 -8.290 -8.539 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.144 -7.351 -9.622 1.00 0.43 O ATOM 1872 CG2 THR A 122 -0.080 -9.257 -8.775 1.00 0.34 C ATOM 0 H THR A 122 2.911 -6.989 -7.090 1.00 0.27 H new ATOM 0 HA THR A 122 -0.038 -6.990 -7.218 1.00 0.27 H new ATOM 0 HB THR A 122 1.992 -8.867 -8.489 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.251 -7.835 -10.468 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.067 -9.772 -9.724 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.112 -9.988 -7.967 1.00 0.34 H new ATOM 0 HG23 THR A 122 -1.020 -8.706 -8.803 1.00 0.34 H new ATOM 1880 N SER A 123 -0.222 -8.608 -5.354 1.00 0.24 N ATOM 1881 CA SER A 123 -0.358 -9.522 -4.239 1.00 0.23 C ATOM 1882 C SER A 123 -1.486 -10.520 -4.499 1.00 0.23 C ATOM 1883 O SER A 123 -2.583 -10.143 -4.913 1.00 0.25 O ATOM 1884 CB SER A 123 -0.618 -8.734 -2.953 1.00 0.25 C ATOM 1885 OG SER A 123 0.374 -7.735 -2.763 1.00 0.38 O ATOM 0 H SER A 123 -1.047 -8.036 -5.535 1.00 0.24 H new ATOM 0 HA SER A 123 0.569 -10.084 -4.125 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.603 -8.270 -2.999 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.624 -9.413 -2.100 1.00 0.25 H new ATOM 0 HG SER A 123 0.188 -7.242 -1.937 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.198 -11.794 -4.269 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.180 -12.850 -4.476 1.00 0.25 C ATOM 1893 C LYS A 124 -3.191 -12.868 -3.335 1.00 0.22 C ATOM 1894 O LYS A 124 -2.910 -12.374 -2.245 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.483 -14.206 -4.600 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.573 -14.530 -3.424 1.00 0.31 C ATOM 1897 CD LYS A 124 0.086 -15.886 -3.589 1.00 0.43 C ATOM 1898 CE LYS A 124 1.231 -16.083 -2.602 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.455 -15.338 -3.007 1.00 1.45 N ATOM 0 H LYS A 124 -0.290 -12.122 -3.938 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.715 -12.651 -5.404 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.238 -14.987 -4.691 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.896 -14.221 -5.518 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.193 -13.760 -3.333 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.151 -14.515 -2.500 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.657 -16.671 -3.445 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.462 -15.986 -4.607 1.00 0.43 H new ATOM 0 HE2 LYS A 124 0.917 -15.752 -1.612 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.463 -17.145 -2.524 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.297 -15.909 -2.790 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.422 -15.144 -4.028 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.503 -14.439 -2.486 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.352 -13.458 -3.590 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.422 -13.519 -2.602 1.00 0.23 C ATOM 1915 C LYS A 125 -5.466 -14.877 -1.909 1.00 0.25 C ATOM 1916 O LYS A 125 -5.477 -15.919 -2.561 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.776 -13.231 -3.266 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.800 -12.599 -2.323 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.389 -13.610 -1.348 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.756 -14.104 -1.787 1.00 0.39 C ATOM 1921 NZ LYS A 125 -9.739 -14.671 -3.164 1.00 1.45 N ATOM 0 H LYS A 125 -4.578 -13.904 -4.479 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.219 -12.759 -1.848 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.620 -12.567 -4.116 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.183 -14.162 -3.659 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.326 -11.792 -1.764 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.603 -12.152 -2.909 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.711 -14.459 -1.254 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.469 -13.155 -0.361 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -10.106 -14.864 -1.088 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.468 -13.280 -1.745 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -10.662 -15.101 -3.374 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -9.546 -13.913 -3.849 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -8.996 -15.396 -3.232 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.486 -14.837 -0.583 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.547 -16.032 0.246 1.00 0.28 C ATOM 1937 C ILE A 126 -6.353 -15.726 1.504 1.00 0.30 C ATOM 1938 O ILE A 126 -6.680 -14.566 1.768 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.147 -16.557 0.670 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -3.018 -15.942 -0.164 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -4.106 -18.070 0.565 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.482 -14.646 0.403 1.00 0.27 C ATOM 0 H ILE A 126 -5.460 -13.968 -0.050 1.00 0.24 H new ATOM 0 HA ILE A 126 -6.018 -16.810 -0.355 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.987 -16.256 1.705 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.202 -16.660 -0.241 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.381 -15.763 -1.176 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -3.121 -18.429 0.864 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.863 -18.501 1.220 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.304 -18.369 -0.464 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.686 -14.269 -0.239 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.286 -13.911 0.454 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.088 -14.822 1.404 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.728 -16.751 2.250 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.475 -16.551 3.479 1.00 0.44 C ATOM 1956 C ALA A 127 -6.893 -17.428 4.574 1.00 0.67 C ATOM 1957 O ALA A 127 -6.670 -18.629 4.310 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.956 -16.840 3.278 1.00 0.46 C ATOM 0 H ALA A 127 -6.528 -17.726 2.027 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.388 -15.506 3.776 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.488 -16.681 4.216 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.357 -16.172 2.516 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.085 -17.874 2.958 1.00 0.46 H new